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IconNMR Automation Run Status:
Day Experiments: 00:02
Busy Until: Sat 04:07
Night Experiments: 00:00

Setup List
Holder Status Name ExpNo Experiment User Time Title
1 Completed 20260601-1034-B400_B.11-1 20 N H1_make_shim.icon make shim.icon after topshim 3d. Use sucrose sample service 00:00:30 Ref sucrose shim Group Service
1 Submitted 20260601-1034-B400_B.11-1 21 N H1_make_shim.icon make shim.icon after topshim 3d. Use sucrose sample service 00:00:30 Ref sucrose shim Group Service
1 Submitted 20260601-1034-B400_B.11-1 22 N H1_make_shim.icon make shim.icon after topshim 3d. Use sucrose sample service 00:00:30 Ref sucrose shim Group Service
1 Submitted 20260601-1034-B400_B.11-1 23 N H1_make_shim.icon make shim.icon after topshim 3d. Use sucrose sample service 00:00:30 Ref sucrose shim Group Service
1 Submitted 20260601-1034-B400_B.11-1 24 N H1_make_shim.icon make shim.icon after topshim 3d. Use sucrose sample service 00:00:30 Ref sucrose shim Group Service
2 Completed 20260612-1837-B400_B.11-2 10 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec z92209cg 00:01:30 Ref SX1-22-quenched-1H Group Leigh_D
3 Completed 20260612-1838-B400_B.11-3 11 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec z92209cg 00:01:30 Ref SX1-16-1H Group Leigh_D
3 Completed 20260612-1838-B400_B.11-3 12 c H1_C13_HSQC_Night Proton-Carbon HSQC, ns = 2, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 14 min 21 sec z92209cg 00:14:29 Ref SX1-16-HSQC Group Leigh_D
4 Completed 20260612-1352-B400_B.11-4 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z92209cg 00:00:30 Ref DJT 09.92.02 Group Leigh_D DJT 09.92.02
5 Completed 20260612-1501-B400_B.11-5 10 N C13_DEPT135_Day DEPT135, proton decoupled, ns = 64, sw = 318 ppm, centre (o1p) = 115 ppm, time = 3 min 28 sec a74776dr 00:03:28 Ref DJP-DR-2-707-3 Group Procter_D
6 Completed 20260612-1503-B400_B.11-6 10 N C13_CPD_Day Carbon, proton decoupled, ns = 64, sw = 318 ppm, centre (o1p) = 115 ppm, time = 3 min 29 sec z61799af 00:01:01 Ref AF-380-Residue Group Green_A
7 Completed 20260612-1407-B400_B.11-7 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z61799af 00:00:30 Ref AF-381 Group Green_A
8 Completed 20260612-1438-B400_B.11-8 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec m52750pm 00:00:30 Ref MP85+is Group Crisenza_G
8 Completed 20260612-1438-B400_B.11-8 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec m52750pm 00:00:50 Ref MP85+is Group Crisenza_G
9 Completed 20260612-1511-B400_B.11-9 2500301 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec w05220ss 00:00:30 Ref JA-SiRi-II-2500301 Group Abbenseth_J SiRi250 SbCyNNN BnBr after 40 min 595nm (red)
10 Completed 20260612-1523-B400_B.11-10 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec m52750pm 00:00:30 Ref MP_NAr3 Group Crisenza_G
11 Completed 20260612-1524-B400_B.11-11 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec m52750pm 00:00:30 Ref MP_intst_CD3CN Group Crisenza_G
12 Completed 20260612-1255-B400_B.11-12 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec x06125gb 00:00:30 Ref RK35-C Group Crisenza_G
13 Completed 20260612-1255-B400_B.11-12 20 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec x06125gb 00:00:30 Ref RK35-RT Group Crisenza_G
14 Error 20260612-1259-B400_B.11-14 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec a53046hl 00:00:30 Ref QBB-G89-postcol Group Leigh_D
15 Error 20260612-1304-B400_B.11-15 10 n H1_Night1024 Proton, ns = 12024, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 Hour 25 min 48 sec p98090lm 01:25:48 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 11 n C13_CPD_Night1024 Carbon, , ns = 1024, sw = 318 ppm, centre (o1p) = 115 ppm, time = 52 min 51 sec p98090lm 00:52:51 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 12 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec p98090lm 00:01:30 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 13 c H1_COSY_NS64_Night COSY, ns = 64, sw = auto, centre (o1p) = auto, time =30 min 32 sec p98090lm 02:35:23 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 14 n C13_DEPT135_Night DEPT135, proton decoupled, ns = 512, sw = 318 ppm, centre (o1p) = 115 ppm, time = 26 min 21 sec p98090lm 00:26:21 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 15 c H1_C13_HMBC_Night Proton-Carbon HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec p98090lm 00:34:17 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 16 c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 2, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 14 min 23 sec p98090lm 00:14:23 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 17 c H1_NOESY_US_Night NOESY, ns = 4, sw = auto, centre (o1p) = auto, time =47 min 45 sec p98090lm 00:47:45 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 18 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec p98090lm 00:01:30 Ref mlt-lsm-18 f rota Group Turner_M
15 Error 20260612-1304-B400_B.11-15 19 n C13_CPD_Night256 Carbon, , ns = 256, sw = 318 ppm, centre (o1p) = 115 ppm, time = 13 min 22 sec p98090lm 00:13:22 Ref mlt-lsm-18 f rota Group Turner_M
16 Error 20260612-1335-B400_B.11-16 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z61799af 00:00:30 Ref AF-380-RCT Group Green_A
16 Error 20260612-1335-B400_B.11-16 11 N C13_CPD_Day Carbon, proton decoupled, ns = 64, sw = 318 ppm, centre (o1p) = 115 ppm, time = 3 min 29 sec z61799af 00:01:01 Ref AF-380-RCT Group Green_A
17 Error 20260612-1335-B400_B.11-17 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z61799af 00:00:30 Ref AF-381 Group Green_A
19 Completed 20260611-1022-B400_B.11-19 14 c H1_C13_HMBC_Night Proton-Carbon HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec j88755sb 00:34:17 Ref capg-sb-ccapg532 Group Goodwin_C
20 Completed 20260611-1024-B400_B.11-20 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec j88755sb 00:01:30 Ref cpg-sb-ccapg599 Group Goodwin_C
20 Completed 20260611-1024-B400_B.11-20 11 n C13_CPD_Night256 Carbon, , ns = 256, sw = 318 ppm, centre (o1p) = 115 ppm, time = 13 min 22 sec j88755sb 00:13:22 Ref cpg-sb-ccapg599 Group Goodwin_C
20 Completed 20260611-1024-B400_B.11-20 12 c H1_COSY_HiRes_Night COSY, ns = 1, sw = auto, centre (o1p) = auto, time =19 min 20 sec j88755sb 00:12:50 Ref cpg-sb-ccapg599 Group Goodwin_C
20 Completed 20260611-1024-B400_B.11-20 13 c H1_C13_HSQC_Night Proton-Carbon HSQC, ns = 2, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 14 min 21 sec j88755sb 00:14:29 Ref cpg-sb-ccapg599 Group Goodwin_C
20 Completed 20260611-1024-B400_B.11-20 14 c H1_C13_HMBC_Night Proton-Carbon HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec j88755sb 00:34:17 Ref cpg-sb-ccapg599 Group Goodwin_C
21 Completed 20260611-1931-B400_B.11-21 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 52 sec z40973rs 00:10:52 Ref gdb-rs-259-250andTFA Group De bo_G
21 Completed 20260611-1931-B400_B.11-21 11 c H1_COSY_HiRes_Night COSY, ns = 1, sw = auto, centre (o1p) = auto, time =19 min 20 sec z40973rs 00:12:50 Ref gdb-rs-259-250andTFA Group De bo_G
21 Completed 20260611-1931-B400_B.11-21 12 n C13_CPD_Night256 Carbon, , ns = 256, sw = 318 ppm, centre (o1p) = 115 ppm, time = 13 min 22 sec z40973rs 00:13:22 Ref gdb-rs-259-250andTFA Group De bo_G
22 Error 20260608-2034-B400_B.11-22 13 c H1_COSY_NS64_Night COSY, ns = 64, sw = auto, centre (o1p) = auto, time =30 min 32 sec a53046hl 02:35:23 Ref ph-722-otf Group Leigh_D
24 Completed 20260611-1052-B400_B.11-24 11 n C13_CPD_Night1024 Carbon, , ns = 1024, sw = 318 ppm, centre (o1p) = 115 ppm, time = 52 min 51 sec k48162ck 00:52:51 Ref BenzNHCPtCl Group Romanov_A BenzNHCPtCl
25 Completed 20260611-2021-B400_B.11-25 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z92209cg 00:00:30 Ref ALF167 fuelled 183h Group Leigh_D ALF167 fuelled 183h
26 Completed 20260611-2023-B400_B.11-26 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z92209cg 00:00:30 Ref ALF168 fuelled 168h Group Leigh_D ALF168 fuelled 168h
27 Completed 20260611-2024-B400_B.11-27 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z92209cg 00:00:30 Ref ALF169 fuelled 168h Group Leigh_D ALF169 fuelled 168h
28 Completed 20260611-2236-B400_B.11-28 10 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D
28 Completed 20260611-2236-B400_B.11-28 11 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D
28 Completed 20260611-2236-B400_B.11-28 12 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D
28 Completed 20260611-2236-B400_B.11-28 13 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D
29 Completed 20260611-2236-B400_B.11-29 11 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
29 Completed 20260611-2236-B400_B.11-29 12 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
29 Completed 20260611-2236-B400_B.11-29 13 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec h32367lm 00:00:30 Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
29 Completed 20260611-2236-B400_B.11-29 14 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
31 Completed 20260611-1043-B400_B.11-21 24 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec h32367lm 00:01:30 Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D
32 Completed 20260611-1747-B400_B.11-32 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec b26045ab 00:01:30 Ref AT-ABO-03-061-cr Group Trowbridge_A
33 Completed 20260611-1552-B400_B.11-33 11 n C13_CPD_Night256 Carbon, , ns = 256, sw = 318 ppm, centre (o1p) = 115 ppm, time = 13 min 22 sec mbdxrlw2 00:13:22 Ref lw021_k2_cb Group Mills_D
34 Completed 20260611-1751-B400_B.11-34 12 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec d93111sd 00:01:30 Ref IL-SD-437n Group Larrosa_I
34 Completed 20260611-1751-B400_B.11-34 13 n F19_NoCPD_Night Fluorine, ns = 128, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec d93111sd 00:05:30 Ref IL-SD-437n Group Larrosa_I
35 Completed 20260611-1751-B400_B.11-34 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec d93111sd 00:01:30 Ref IL-SD-397n Group Larrosa_I
35 Completed 20260611-1751-B400_B.11-34 11 n F19_NoCPD_Night Fluorine, ns = 128, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec d93111sd 00:05:30 Ref IL-SD-397n Group Larrosa_I
36 Completed 20260611-1757-B400_B.11-36 10 n H1_Night1024 Proton, ns = 12024, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 Hour 25 min 48 sec y52364mw 01:25:48 Ref GDB-MJ-D4-PMA Group De bo_G
38 Completed 20260611-1630-B400_B.11-38 10 c H1_P31_HMBC_Night Proton-Phosphorous HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec v61651mp 00:15:36 Ref PU03-D Group Shaver_M
39 Completed 20260611-1632-B400_B.11-39 12 c H1_P31_HMBC_Night Proton-Phosphorous HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec v61651mp 00:15:36 Ref PU03-H Group Shaver_M
40 Completed 20260611-1634-B400_B.11-40 12 c H1_P31_HMBC_Night Proton-Phosphorous HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec v61651mp 00:15:36 Ref PU03-I Group Shaver_M
41 Completed 20260611-1653-B400_B.11-41 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec w52164bc 00:01:30 Ref BC-11-233 P1 Group James_M
41 Completed 20260611-1653-B400_B.11-41 11 n C13_CPD_Night1024 Carbon, , ns = 1024, sw = 318 ppm, centre (o1p) = 115 ppm, time = 52 min 51 sec w52164bc 00:52:51 Ref BC-11-233 P1 Group James_M
41 Completed 20260611-1653-B400_B.11-41 12 c H1_COSY_HiRes_Night COSY, ns = 1, sw = auto, centre (o1p) = auto, time =19 min 20 sec w52164bc 00:12:50 Ref BC-11-233 P1 Group James_M
41 Completed 20260611-1653-B400_B.11-41 13 c H1_C13_HSQC_Night Proton-Carbon HSQC, ns = 2, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 14 min 21 sec w52164bc 00:14:29 Ref BC-11-233 P1 Group James_M
41 Completed 20260611-1653-B400_B.11-41 14 c H1_C13_HMBC_Night Proton-Carbon HMBC, ns = 4, sw = auto x 222 ppm, centre (o1p) = auto, 100 ppm, time = 33 min 53 sec w52164bc 00:34:17 Ref BC-11-233 P1 Group James_M
41 Completed 20260611-1653-B400_B.11-41 15 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec w52164bc 00:00:50 Ref BC-11-233 P1 Group James_M
42 Completed 20260611-1706-B400_B.11-42 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec m52750pm 00:01:30 Ref GCPM355cr Group Crisenza_G
43 Completed 20260611-1706-B400_B.11-43 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec m52750pm 00:01:30 Ref GCPM356cr Group Crisenza_G
44 Completed 20260611-1706-B400_B.11-44 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec m52750pm 00:01:30 Ref GCPM357cr Group Crisenza_G
45 Completed 20260612-1642-B400_B.11-45 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec x06125gb 00:00:30 Ref RK33-F1 Group Crisenza_G
46 Completed 20260612-1642-B400_B.11-45 20 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec x06125gb 00:00:30 Ref RK33-F2 Group Crisenza_G
47 Error 20260612-1642-B400_B.11-45 30 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec x06125gb 00:00:30 Ref RK33-F2 Group Crisenza_G
48 Completed 20260612-1643-B400_B.11-48 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec x06125gb 00:00:30 Ref RK33-A6-A7 Group Crisenza_G
49 Completed 20260612-1646-B400_B.11-49 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec j20588jh 00:00:30 Ref HK-DW-144-1 Group Natrajan_L
49 Completed 20260612-1646-B400_B.11-49 11 N B11_CPD_Day Boron, proton decoupled, ns = 16, sw = 298 ppm, centre (o1p) = 0 ppm, time = 6 sec j20588jh 00:00:48 Ref HK-DW-144-1 Group Natrajan_L
49 Completed 20260612-1646-B400_B.11-49 12 N B11_NoCPD_Day Boron, ns = 16, sw = 298 ppm, centre (o1p) = 0 ppm, time = 6 sec j20588jh 00:00:45 Ref HK-DW-144-1 Group Natrajan_L
49 Completed 20260612-1646-B400_B.11-49 13 N P31_CPD_Day Phosphorus, proton decoupled, ns = 16, sw = 245 ppm, centre (o1p) = 0 ppm, time = 52 sec j20588jh 00:00:52 Ref HK-DW-144-1 Group Natrajan_L
49 Completed 20260612-1646-B400_B.11-49 14 N P31_NoCPD_Day Phosphorus, ns = 16, sw = 245 ppm, centre (o1p) = 0 ppm, time = 51 sec j20588jh 00:00:51 Ref HK-DW-144-1 Group Natrajan_L
50 Completed 20260612-1729-B400_B.11-50 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec y52364mw 00:01:30 Ref GDB-MJ-D4 Group De bo_G
51 Completed 20260612-1730-B400_B.11-51 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec y52364mw 00:01:30 Ref GDB-MJ-D4-baseline Group De bo_G
52 Completed 20260612-1708-B400_B.11-52 10 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec mbdxkrn2 00:10:52 Ref GDB-RN1708-1 360min sonication Et2O/THF-washed polymer - Acetone-d6 Group De bo_G
52 Completed 20260612-1708-B400_B.11-52 11 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 52 sec mbdxkrn2 00:10:52 Ref GDB-RN1708-1 360min sonication Et2O/THF-washed polymer - Acetone-d6 Group De bo_G
53 Completed 20260612-1709-B400_B.11-53 10 n H1_Night1024 Proton, ns = 12024, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 Hour 25 min 48 sec mbdxkrn2 01:25:48 Ref GDB-RN1704-1 360min sonication Et2O/THF-washed polymer - CDCl3 Group De bo_G
54 Completed 20260612-1709-B400_B.11-54 10 n H1_Night1024 Proton, ns = 12024, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 Hour 25 min 48 sec mbdxkrn2 01:25:48 Ref GDB-RN1705-1 360min sonication Et2O/THF-washed polymer - CDCl3 Group De bo_G
55 Completed 20260612-2052-B400_B.11-55 10 N H1_Day Proton, ns = 4, sw = 20 ppm, centre (o1p) = 6 ppm, time = 30 sec z92209cg 00:00:30 Ref AL117 end prod Group Leigh_D AL117 end prod after MeOH wash
56 Completed 20260612-1709-B400_B.11-56 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 52 sec mbdxkrn2 00:42:59 Ref GDB-RN1707-1 360min sonication Et2O/THF-washed polymer - CDCl3 Group De bo_G
57 Completed 20260612-1715-B400_B.11-57 10 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec j83970qc 00:01:30 Ref qc e831 p1 Group De bo_G
58 Completed 20260612-1727-B400_B.11-58 10 N H1_Day16 Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 30 sec k48162ck 00:01:30 Ref thio-K3 Group Romanov_A
58 Completed 20260612-1727-B400_B.11-58 11 n C13_CPD_Night1024 Carbon, , ns = 1024, sw = 318 ppm, centre (o1p) = 115 ppm, time = 52 min 51 sec k48162ck 00:52:51 Ref thio-K3-13C Group Romanov_A
59 Completed 20260612-2050-B400_B.11-59 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 52 sec b19299kh 00:10:52 Ref STL-XLD-I2-Na2C4TMS-Hex-THF-after DME extraction-residue Group Liddle_S
59 Completed 20260612-2050-B400_B.11-59 11 n C13_CPD_Night1024 Carbon, , ns = 1024, sw = 318 ppm, centre (o1p) = 115 ppm, time = 52 min 51 sec b19299kh 00:52:51 Ref STL-XLD-I2-Na2C4TMS-Hex-THF-after DME extraction-residue Group Liddle_S
59 Completed 20260612-2050-B400_B.11-59 12 n H1_Night1024 Proton, ns = 12024, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 Hour 25 min 48 sec b19299kh 01:25:48 Ref STL-XLD-I2-Na2C4TMS-Hex-THF-after DME extraction-residue Group Liddle_S
60 Error 20260608-1008-B400_B.11-60 12 n C13_CPD_Night256 Carbon, , ns = 256, sw = 318 ppm, centre (o1p) = 115 ppm, time = 13 min 22 sec b19299kh 00:13:22 Ref STL-XLD-Cl2-refllux-drops of THF Group Liddle_S
History List
Holder Time Name ExpNo Experiment User Load Atma Spin Lock Shim Acq Proc Title Remarks
59 02:34:35 20260612-2050-B400_B.11-59 12 H1_Night1024 b19299kh - + - - - + - Ref STL-XLD-I2-Na2C4TMS-Hex-THF-after DME extraction-residue Group Liddle_S
59 01:40:50 20260612-2050-B400_B.11-59 11 C13_CPD_Night1024 b19299kh - + - - - + + Ref STL-XLD-I2-Na2C4TMS-Hex-THF-after DME extraction-residue Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 01:25:38 20260612-2050-B400_B.11-59 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-Na2C4TMS-Hex-THF-after DME extraction-residue Group Liddle_S
2 01:21:07 20260612-1837-B400_B.11-2 10 H1_Day16 z92209cg + + - + + + + Ref SX1-22-quenched-1H Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 00:27:19 20260612-1727-B400_B.11-58 11 C13_CPD_Night1024 k48162ck - + - - - + + Ref thio-K3-13C Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 00:20:36 20260612-1727-B400_B.11-58 10 H1_Day16 k48162ck + + - + + + + Ref thio-K3 Group Romanov_A
57 00:15:29 20260612-1715-B400_B.11-57 10 H1_Day16 j83970qc + + - + + + + Ref qc e831 p1 Group De bo_G
56 23:29:33 20260612-1709-B400_B.11-56 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN1707-1 360min sonication Et2O/THF-washed polymer - CDCl3 Group De bo_G
54 22:01:06 20260612-1709-B400_B.11-54 10 H1_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1705-1 360min sonication Et2O/THF-washed polymer - CDCl3 Group De bo_G
55 21:56:15 20260612-2052-B400_B.11-55 10 H1_Day z92209cg + + - + + + + Ref AL117 end prod Group Leigh_D AL117 end prod after MeOH wash sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 20:27:24 20260612-1709-B400_B.11-53 10 H1_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1704-1 360min sonication Et2O/THF-washed polymer - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 20:26:42 20260612-1304-B400_B.11-15 10 H1_Night1024 p98090lm x - - - - - - Ref mlt-lsm-18 f rota Group Turner_M WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.15'.
55 19:51:33 20260612-1134-B400_B.11-55 15 H1_C13_HMBC_Night w52164bc - + - - - + + Ref BC-11-234 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 19:35:43 20260612-1134-B400_B.11-55 14 H1_C13_HSQC_Night w52164bc - + - - - + + Ref BC-11-234 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 19:18:19 20260612-1134-B400_B.11-55 13 H1_COSY_HiRes_Night w52164bc + + - + + + + Ref BC-11-234 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
3 19:02:44 20260612-1838-B400_B.11-3 12 H1_C13_HSQC_Night z92209cg - + - - - + + Ref SX1-16-HSQC Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
3 18:57:59 20260612-1838-B400_B.11-3 11 H1_Night z92209cg + + - + + + + Ref SX1-16-1H Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 18:53:26 20260612-1835-B400_B.11-59 10 H1_Day z92209cg + + - + + + + Ref AL117 fr 12-14 Group Leigh_D AL117 fr 12-14 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 17:56:47 20260612-1134-B400_B.11-55 12 C13_CPD_Night1024 w52164bc + + - + + + + Ref BC-11-234 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 17:50:57 20260612-1730-B400_B.11-51 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D4-baseline Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 17:46:03 20260612-1729-B400_B.11-50 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D4 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 17:34:28 20260612-1708-B400_B.11-52 11 H1_Night128 mbdxkrn2 - + - - - + + Ref GDB-RN1708-1 360min sonication Et2O/THF-washed polymer - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 17:20:40 20260612-1708-B400_B.11-52 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1708-1 360min sonication Et2O/THF-washed polymer - Acetone-d6 Group De bo_G
51 17:16:42 20260612-1658-B400_B.11-51 10 H1_Day z16689fe + + - + + + + Ref DJP FE 483 (rsm) Group Procter_D
50 17:11:11 20260612-1652-B400_B.11-50 10 H1_Day16 p13528bg + + - + + + + Ref BG-005c) post reclaim Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 17:09:44 20260612-1646-B400_B.11-49 14 P31_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-144-1 Group Natrajan_L sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/14/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/14/pdata/1/peaks!
49 17:06:46 20260612-1646-B400_B.11-49 13 P31_CPD_Day j20588jh - + - - - + + Ref HK-DW-144-1 Group Natrajan_L sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/13/pdata/1/peaks!
49 17:05:29 20260612-1646-B400_B.11-49 12 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-144-1 Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/12/pdata/1/peaks!
49 17:02:51 20260612-1646-B400_B.11-49 11 B11_CPD_Day j20588jh - + - - - + + Ref HK-DW-144-1 Group Natrajan_L sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260612-1646-B400_B.11-49/11/pdata/1/peaks!
49 16:59:33 20260612-1646-B400_B.11-49 10 H1_Day j20588jh + + - + + + + Ref HK-DW-144-1 Group Natrajan_L sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 16:54:31 20260612-1643-B400_B.11-48 10 H1_Day x06125gb + + - + + + + Ref RK33-A6-A7 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 16:50:05 20260612-1642-B400_B.11-45 20 H1_Day x06125gb + + - + + + + Ref RK33-F2 Group Crisenza_G
45 16:45:23 20260612-1642-B400_B.11-45 10 H1_Day x06125gb + + - + + + + Ref RK33-F1 Group Crisenza_G
47 16:43:16 20260612-1642-B400_B.11-45 30 H1_Day x06125gb x - - - - - - Ref RK33-F2 Group Crisenza_G WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.47'.
29 16:32:57 20260611-2236-B400_B.11-29 14 H1_Night h32367lm + + - + + + + Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
28 16:27:31 20260611-2236-B400_B.11-28 13 H1_Night h32367lm + + - + + + + Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 16:09:59 20260611-2236-B400_B.11-28 12 H1_Day16 h32367lm + + - + + + + Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 16:05:37 20260611-2236-B400_B.11-29 13 H1_Day h32367lm + + - + + + + Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:29:17 20260612-1524-B400_B.11-11 10 H1_Day m52750pm + + - + + + + Ref MP_intst_CD3CN Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:24:23 20260612-1523-B400_B.11-10 10 H1_Day m52750pm + + - + + + + Ref MP_NAr3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:13:23 20260612-1511-B400_B.11-9 2500301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2500301 Group Abbenseth_J SiRi250 SbCyNNN BnBr after 40 min 595nm (red)
6 15:09:14 20260612-1503-B400_B.11-6 10 C13_CPD_Day z61799af + + - + + + + Ref AF-380-Residue Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 15:02:00 20260612-1501-B400_B.11-5 10 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-707-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 14:45:12 20260612-1444-B400_B.11-9 888 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-888 Group Abbenseth_J SiRitest888 PyF5 in Acetonitrile log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 14:41:58 20260612-1438-B400_B.11-8 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP85+is Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 14:38:35 20260612-1438-B400_B.11-8 10 H1_Day m52750pm + + - + + + + Ref MP85+is Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 14:18:39 20260612-1407-B400_B.11-7 10 H1_Day z61799af + + - + + + + Ref AF-381 Group Green_A
6 14:16:44 20260612-1407-B400_B.11-6 11 C13_CPD_Day z61799af - + - - - + + Ref AF-366+380-RC Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:12:32 20260612-1407-B400_B.11-6 10 H1_Day z61799af + + - + + + + Ref AF-366+380-RC Group Green_A
5 14:07:11 20260612-1406-B400_B.11-5 10 C13_CPD_Day z61799af + + - + + + + Ref AF-377 Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 14:02:09 20260612-1352-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref DJT 09.92.02 Group Leigh_D DJT 09.92.02
3 13:57:18 20260612-1351-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref DJT 09.92.01 Group Leigh_D DJT 09.92.01
2 13:51:56 20260612-1351-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref AL117 crude Group Leigh_D AL117 crude sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 13:42:08 20260612-1335-B400_B.11-17 10 H1_Day z61799af x - - - - - - Ref AF-381 Group Green_A WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
16 13:36:49 20260612-1335-B400_B.11-16 10 H1_Day z61799af x - - - - - - Ref AF-380-RCT Group Green_A WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
14 13:05:11 20260612-1259-B400_B.11-14 10 H1_Day a53046hl x - - - - - - Ref QBB-G89-postcol Group Leigh_D WebService Error: 103.310.192:Insert Error:Transfer of sample '14' from Magnet (1) to Sample Changer (0) could not be performed. Reason: 117.310.199:Eject Failed:Sample is not hovering..
13 13:00:46 20260612-1255-B400_B.11-12 20 H1_Day x06125gb + + - + + + + Ref RK35-RT Group Crisenza_G
12 12:57:15 20260612-1255-B400_B.11-12 10 H1_Day x06125gb + + - + + + + Ref RK35-C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 12:51:21 20260612-1251-B400_B.11-4 10 H1_Day16 k48162ck + + - + + + + Ref thio-K3 Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 12:44:45 20260612-1243-B400_B.11-2 10 H1_Day16 k48162ck + + - + x + + Ref thio-K3 Group Romanov_A topshim: TopshimFieldMap - no valid data in sample centre, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:39:57 20260612-1237-B400_B.11-56 10 H1_Day16 p13528bg + + - + + + + Ref BG-015c) redo Group De bo_G
55 12:35:40 20260612-1134-B400_B.11-55 11 H1_Night w52164bc + + - + + + + Ref BC-11-234 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 12:33:39 20260612-1140-B400_B.11-9 11 C13_CPD_Day x06125gb - + - - - + + Ref RK32-PF2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 12:29:04 20260612-1140-B400_B.11-9 10 H1_Day x06125gb + + - + + + + Ref RK32-PF2 Group Crisenza_G
3 12:15:02 20260612-1129-B400_B.11-3 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1705-1 360min sonication crude polymer - CDCl3 Group De bo_G
58 12:10:29 20260612-1159-B400_B.11-58 10 F19_NoCPD_Day m52750pm + + - + + + + Ref MP84+is Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
57 11:56:21 20260612-1129-B400_B.11-57 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1704-1 360min sonication crude polymer - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 11:51:39 20260612-1136-B400_B.11-56 10 H1_Day16 k48162ck + + - + + + + Ref thio-K3 Group Romanov_A
55 11:47:38 20260612-1134-B400_B.11-55 10 F19_NoCPD_Day w52164bc + + - + + + + Ref BC-11-234 Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
54 11:43:10 20260612-1131-B400_B.11-54 10 H1_Day a53046hl + + - + + + + Ref exc-cryptand-retry Group Leigh_D exc-cryptand-retry sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 11:28:58 20260612-1127-B400_B.11-53 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1707-1 360min sonication crude polymer - CDCl3 Group De bo_G
51 11:10:12 20260612-1108-B400_B.11-51 10 H1_Day z92209cg + + - + + + + Ref DJT 09.92 Group Leigh_D DJT 09.92 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:44:52 20260612-1040-B400_B.11-8 10 H1_Day m52750pm + + - + + + + Ref MP84+is Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 10:40:23 20260612-1039-B400_B.11-7 10 H1_Day m52750pm + + - + + + + Ref MP_int.stand Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:30:48 20260612-0959-B400_B.11-6 10 H1_Day m52750pm + + - + + + + Ref MP78_gialle Group Crisenza_G
5 10:25:58 20260612-0958-B400_B.11-5 10 H1_Day m52750pm + + - + + + + Ref MP78_flash Group Crisenza_G
4 10:21:15 20260612-0958-B400_B.11-4 10 H1_Day m52750pm + + - + + + + Ref MP78_110-118 Group Crisenza_G
3 10:17:09 20260612-0957-B400_B.11-3 10 H1_Day m52750pm + + - + + + + Ref MP78_68-80 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:12:17 20260612-0957-B400_B.11-2 10 H1_Day m52750pm + + - + + + + Ref MP78_44-56 Group Crisenza_G
59 10:07:48 20260612-0956-B400_B.11-59 10 H1_Day m52750pm + + - + + + + Ref MP78_15-20 Group Crisenza_G
58 10:02:50 20260612-0955-B400_B.11-58 10 H1_Day m52750pm + + - + + + + Ref MP78_8-14 Group Crisenza_G
57 09:44:55 20260612-0918-B400_B.11-57 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-I2+Na2C4TMS-hex+THF-after DME extraction-dTHF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 09:41:30 20260612-0935-B400_B.11-59 10 H1_Day a53046hl + + - + + + + Ref ph-722-clo4-rt Group Leigh_D knot + znclo4 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 09:37:34 20260612-0935-B400_B.11-58 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf-rt Group Leigh_D knot +znotf sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 09:25:58 20260612-0918-B400_B.11-57 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-I2+Na2C4TMS-hex+THF-after DME extraction-dTHF Group Liddle_S
57 09:20:47 20260612-0918-B400_B.11-57 13 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2+Na2C4TMS-hex+THF-after DME extraction-dTHF Group Liddle_S
1 09:05:24 20260601-1034-B400_B.11-1 20 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
3 08:51:04 20260612-0846-B400_B.11-3 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN1708-1 360min sonication crude polymer - Acetone-d6 Group De bo_G
2 08:44:59 20260612-0843-B400_B.11-2 10190201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-19 Group Abbenseth_J JA-CD-I-19 filt, benz wash, dry
29 07:44:24 20260611-2236-B400_B.11-29 11 H1_Day16 h32367lm + + - + + + + Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
28 07:38:41 20260611-2236-B400_B.11-28 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 06:08:35 20260611-1930-B400_B.11-18 10 H1_Night1024 z40973rs + + - + + + + Ref gdb-rs-254 peg-N3 polymer Group De bo_G
36 04:39:20 20260611-1757-B400_B.11-36 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-D4-PMA Group De bo_G
2 04:34:19 20260611-1741-B400_B.11-2 10190101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-19 Group Abbenseth_J JA-CD-I-19 filt, benz wash, dry sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 04:32:13 20260611-1653-B400_B.11-41 15 F19_NoCPD_Day w52164bc - + - - - + + Ref BC-11-233 P1 Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
41 03:57:04 20260611-1653-B400_B.11-41 14 H1_C13_HMBC_Night w52164bc - + - - - + + Ref BC-11-233 P1 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 03:41:42 20260611-1653-B400_B.11-41 13 H1_C13_HSQC_Night w52164bc - + - - - + + Ref BC-11-233 P1 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 03:28:09 20260611-1653-B400_B.11-41 12 H1_COSY_HiRes_Night w52164bc - + - - - + + Ref BC-11-233 P1 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 02:33:41 20260611-1653-B400_B.11-41 11 C13_CPD_Night1024 w52164bc - + - - - + + Ref BC-11-233 P1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 02:28:24 20260611-1653-B400_B.11-41 10 H1_Night w52164bc + + - + + + + Ref BC-11-233 P1 Group James_M
40 02:09:56 20260611-1634-B400_B.11-40 12 H1_P31_HMBC_Night v61651mp + + - + + + + Ref PU03-I Group Shaver_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 01:51:34 20260611-1632-B400_B.11-39 12 H1_P31_HMBC_Night v61651mp + + - + + + + Ref PU03-H Group Shaver_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
38 01:32:17 20260611-1630-B400_B.11-38 10 H1_P31_HMBC_Night v61651mp + + - + + + + Ref PU03-D Group Shaver_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 00:36:17 20260611-1052-B400_B.11-24 11 C13_CPD_Night1024 k48162ck + + - + + + + Ref BenzNHCPtCl Group Romanov_A BenzNHCPtCl sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 00:01:07 20260611-1024-B400_B.11-20 14 H1_C13_HMBC_Night j88755sb - + - - - + + Ref cpg-sb-ccapg599 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 23:45:45 20260611-1024-B400_B.11-20 13 H1_C13_HSQC_Night j88755sb - + - - - + + Ref cpg-sb-ccapg599 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 23:32:16 20260611-1024-B400_B.11-20 12 H1_COSY_HiRes_Night j88755sb - + - - - + + Ref cpg-sb-ccapg599 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 23:18:00 20260611-1024-B400_B.11-20 11 C13_CPD_Night256 j88755sb - + - - - + + Ref cpg-sb-ccapg599 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 23:13:36 20260611-1024-B400_B.11-20 10 H1_Night j88755sb + + - + + + + Ref cpg-sb-ccapg599 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 23:08:46 20260611-2236-B400_B.11-29 12 H1_Night h32367lm + + - + + + + Ref LM_Double_slowanh_1ulH2o_n1 Group Leigh_D
28 23:03:12 20260611-2236-B400_B.11-28 11 H1_Night h32367lm + + - + + + + Ref LM_Single_slowanh_1ulH2o_n1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 22:28:04 20260611-1023-B400_B.11-3 14 H1_C13_HMBC_Night j88755sb - + - - - + + Ref capg-sb-ccapg553 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
3 22:12:42 20260611-1023-B400_B.11-3 13 H1_C13_HSQC_Night j88755sb - + - - - + + Ref capg-sb-ccapg553 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
3 21:57:04 20260611-1023-B400_B.11-3 12 H1_COSY_HiRes_Night j88755sb + + - + + + + Ref capg-sb-ccapg553 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
19 21:19:55 20260611-1022-B400_B.11-19 14 H1_C13_HMBC_Night j88755sb + + - + + + + Ref capg-sb-ccapg532 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
27 21:16:28 20260611-2024-B400_B.11-27 10 H1_Day z92209cg + + - + + + + Ref ALF169 fuelled 168h Group Leigh_D ALF169 fuelled 168h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 21:13:02 20260611-2023-B400_B.11-26 10 H1_Day z92209cg + + - + + + + Ref ALF168 fuelled 168h Group Leigh_D ALF168 fuelled 168h
25 21:09:22 20260611-2021-B400_B.11-25 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 183h Group Leigh_D ALF167 fuelled 183h
21 20:55:06 20260611-1931-B400_B.11-21 12 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-259-250andTFA Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 20:41:40 20260611-1931-B400_B.11-21 11 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-259-250andTFA Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 20:26:52 20260611-1931-B400_B.11-21 10 H1_Night128 z40973rs + + - + + + + Ref gdb-rs-259-250andTFA Group De bo_G
16 20:21:47 20260611-1919-B400_B.11-16 10 H1_Day g16660ml + + - + + + + Ref djp- Group Procter_D
17 20:06:26 20260611-1916-B400_B.11-17 12 H1_C13_HSQC_Night z92209cg - + - - - + + Ref SX1-20B-HSQC Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
17 19:52:10 20260611-1916-B400_B.11-17 11 C13_CPD_Night256 z92209cg - + - - - + + Ref SX1-20B-13C Group Leigh_D
17 19:48:04 20260611-1916-B400_B.11-17 10 H1_Night z92209cg + + - + + + + Ref SX1-20B-1H Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 19:43:49 20260611-1841-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref ph-722-16car-ntf Group Leigh_D knot + ZnNtf2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 19:29:29 20260611-1834-B400_B.11-15 11 C13_CPD_Night256 c54994yc - + - - - + + Ref dmso sc 2hour ny6 280 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 19:24:55 20260611-1834-B400_B.11-15 10 H1_Night c54994yc + + - + + + + Ref dmso 2hour sc ny6 280 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 19:10:23 20260611-1834-B400_B.11-14 11 C13_CPD_Night256 c54994yc - + - - - + + Ref 2hour sc ny6 280 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 19:01:40 20260611-1834-B400_B.11-14 10 H1_Night c54994yc + + - + + + + Ref 2hour sc ny6 280 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 18:54:56 20260611-1751-B400_B.11-34 11 F19_NoCPD_Night d93111sd - + - - - + + Ref IL-SD-397n Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
35 18:47:56 20260611-1751-B400_B.11-34 10 H1_Night d93111sd + + - + x + + Ref IL-SD-397n Group Larrosa_I topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 18:41:07 20260611-1751-B400_B.11-34 13 F19_NoCPD_Night d93111sd - + - - - + + Ref IL-SD-437n Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
34 18:35:38 20260611-1751-B400_B.11-34 12 H1_Night d93111sd + + - + + + + Ref IL-SD-437n Group Larrosa_I
32 18:29:04 20260611-1747-B400_B.11-32 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-061-cr Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 18:25:16 20260611-1738-B400_B.11-59 777 H1_Day w05220ss + + - + + + + Ref JA-SiRI-II-7772 Group Abbenseth_J SiRitest777 toluene BnBr in ACN sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 18:20:18 20260611-1706-B400_B.11-44 10 H1_Night m52750pm + + - + + + + Ref GCPM357cr Group Crisenza_G
43 18:15:59 20260611-1706-B400_B.11-43 10 H1_Night m52750pm + + - + + + + Ref GCPM356cr Group Crisenza_G
42 18:11:28 20260611-1706-B400_B.11-42 10 H1_Night m52750pm + + - + + + + Ref GCPM355cr Group Crisenza_G
33 17:54:45 20260611-1552-B400_B.11-33 11 C13_CPD_Night256 mbdxrlw2 + + - + + + + Ref lw021_k2_cb Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 17:49:32 20260611-1043-B400_B.11-21 24 H1_Night h32367lm + + - + + + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 17:44:27 20260611-1044-B400_B.11-23 27 H1_Night h32367lm + + - + + + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
58 17:29:19 20260611-1452-B400_B.11-58 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL_XLD-Na2C4TMS-neat reducing reagent for comparison-neat C6D6 Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 17:17:43 20260611-1452-B400_B.11-58 11 H1_Night128 b19299kh - + - - - + + Ref STL_XLD-Na2C4TMS-neat reducing reagent for comparison-neat C6D6 Group Liddle_S
58 17:11:46 20260611-1452-B400_B.11-58 13 Si29_DEPT90_Day b19299kh - + - - - + + Ref STL_XLD-Na2C4TMS-neat reducing reagent for comparison-neat C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260611-1452-B400_B.11-58/13/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260611-1452-B400_B.11-58/13/pdata/1/peaks!
58 17:06:55 20260611-1452-B400_B.11-58 10 H1_Day b19299kh + + - + + + + Ref STL_XLD-Na2C4TMS-neat reducing reagent for comparison-neat C6D6 Group Liddle_S
40 17:05:23 20260611-1634-B400_B.11-40 11 P31_NoCPD_Day v61651mp - + - - - + + Ref PU03-I Group Shaver_M sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
40 17:02:00 20260611-1634-B400_B.11-40 10 H1_Day v61651mp + + - + + + + Ref PU03-I Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 16:59:35 20260611-1632-B400_B.11-39 11 P31_NoCPD_Day v61651mp - + - - - + + Ref PU03-H Group Shaver_M sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
39 16:54:46 20260611-1632-B400_B.11-39 10 H1_Day16 v61651mp + + - + + + + Ref PU03-H Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 16:47:57 20260611-1604-B400_B.11-34 40 H1_WaterSupp_Day x26213ll + + - + + + + Ref 260611-1.9v-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 16:41:02 20260611-1604-B400_B.11-34 30 H1_WaterSupp_Day x26213ll + + - + + + + Ref 260611-1.9v Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 16:34:39 20260611-1604-B400_B.11-34 20 H1_WaterSupp_Day x26213ll + + - + + + + Ref 260611-1.8v Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 16:26:51 20260611-1604-B400_B.11-34 10 H1_WaterSupp_Day x26213ll + + - + + + + Ref 260611-1.7v Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 16:22:20 20260611-1552-B400_B.11-33 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw021_k2_cb Group Mills_D
32 16:19:28 20260611-1509-B400_B.11-32 11 B11_CPD_Day x06125gb - + - - - + + Ref GCGB466Flush2 Group Crisenza_G sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Crisenza_G/data/x06125gb/nmr/20260611-1509-B400_B.11-32/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Crisenza_G/data/x06125gb/nmr/20260611-1509-B400_B.11-32/11/pdata/1/peaks!
32 16:14:43 20260611-1509-B400_B.11-32 10 H1_Day x06125gb + + - + + + + Ref GCGB466Flush2 Group Crisenza_G
31 16:12:30 20260611-1043-B400_B.11-21 23 H1_Day16 h32367lm - + - - - + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 16:10:16 20260611-1043-B400_B.11-21 22 H1_Day16 h32367lm - + - - - + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 16:04:48 20260611-1043-B400_B.11-21 21 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 16:02:35 20260611-1044-B400_B.11-23 26 H1_Day16 h32367lm - + - - - + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
30 16:00:17 20260611-1044-B400_B.11-23 25 H1_Day16 h32367lm - + - - - + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
30 15:58:03 20260611-1044-B400_B.11-23 24 H1_Day16 h32367lm - + - - - + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
30 15:55:49 20260611-1044-B400_B.11-23 23 H1_Day16 h32367lm - + - - - + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
30 15:50:31 20260611-1044-B400_B.11-23 22 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_h2o_11.30 Group Leigh_D
32 15:33:34 20260611-1509-B400_B.11-32 10 H1_Day x06125gb x - - - - - - Ref GCGB466Flush2 Group Crisenza_G WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
31 15:28:15 20260611-1043-B400_B.11-21 23 H1_Day16 h32367lm x - - - - - - Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
30 15:27:09 20260611-1044-B400_B.11-23 26 H1_Day16 h32367lm x - - - - - - Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D WebService Error: 103.310.192:Insert Error:Transfer of sample '30' from Magnet (1) to Sample Changer (0) could not be performed. Reason: 117.310.199:Eject Failed:Sample is not hovering..
29 15:21:09 20260611-1458-B400_B.11-29 10 H1_Day16 p13528bg + + - + + + + Ref BG-004c) pure in CDCl3 Group De bo_G
28 15:19:25 20260611-1425-B400_B.11-27 3060231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-06 Group Abbenseth_J JA-SiS-III-06 P(NNN)K crypt - SN - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 15:14:59 20260611-1425-B400_B.11-27 3060201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-06 Group Abbenseth_J JA-SiS-III-06 P(NNN)K crypt - SN - 1H
27 15:12:32 20260611-1425-B400_B.11-27 3060131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-06 Group Abbenseth_J JA-SiS-III-06 P(NNN)K crypt - solid - 31P{1H} sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260611-1425-B400_B.11-27/3060131/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260611-1425-B400_B.11-27/3060131/pdata/1/peaks!
27 15:08:27 20260611-1425-B400_B.11-27 3060101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-06 Group Abbenseth_J JA-SiS-III-06 P(NNN)K crypt - solid - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 14:54:07 20260611-1423-B400_B.11-26 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1703-1 Et2O-precipitated polymer - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 14:40:04 20260611-1423-B400_B.11-21 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1702-1 Et2O-precipitated polymer - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 14:22:16 20260611-1022-B400_B.11-19 13 H1_C13_HSQC_Night j88755sb + + - + + + + Ref capg-sb-ccapg532 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 14:16:38 20260611-1043-B400_B.11-21 22 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 14:11:29 20260611-1044-B400_B.11-23 25 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
14 13:57:46 20260611-1302-B400_B.11-14 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1701-1 Et2O-precipitated polymer - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 13:54:24 20260611-1342-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf Group Leigh_D 65 c overnight sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 13:50:58 20260611-1341-B400_B.11-12 10 H1_Day a53046hl + + - + + + + Ref ph-724-bf4 Group Leigh_D 65 c overnight sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:47:23 20260611-1340-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref ph-724-carboxylate Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 13:33:36 20260611-1302-B400_B.11-10 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1702-1 Et2O-precipitated polymer - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 13:18:30 20260611-1301-B400_B.11-6 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1703-1 Et2O-precipitated polymer - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:14:02 20260611-1301-B400_B.11-5 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1706 Crude - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 13:08:41 20260611-1256-B400_B.11-4 10 H1_Day16 p13528bg + + - + + + + Ref BG-015c) postprecip 1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:52:01 20260611-1023-B400_B.11-3 11 C13_CPD_Night256 j88755sb + + - + + + + Ref capg-sb-ccapg553 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 12:46:56 20260611-1043-B400_B.11-21 21 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 12:41:57 20260611-1044-B400_B.11-23 24 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D
29 12:36:46 20260611-1043-B400_B.11-21 22 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_1ulh2o_12.35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 12:30:42 20260611-1044-B400_B.11-23 23 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_1ulh2o_1230 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:24:45 20260611-1023-B400_B.11-3 10 H1_Night j88755sb + + - + + + + Ref capg-sb-ccapg553 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 12:19:42 20260611-1143-B400_B.11-25 40 H1_Day x06125gb + + - + + + + Ref GCGB460Flush1 Group Crisenza_G
30 12:14:44 20260611-1044-B400_B.11-23 22 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_h2o_11.30 Group Leigh_D
29 12:09:24 20260611-1043-B400_B.11-21 21 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_11.40 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 12:05:22 20260611-1154-B400_B.11-28 10 H1_Day m52750pm + + - + + + + Ref MP81_fr24-31 Group Crisenza_G
27 12:00:50 20260611-1143-B400_B.11-25 30 H1_Day x06125gb + + - + + + + Ref GCGB460F17-38 Group Crisenza_G
26 11:56:20 20260611-1143-B400_B.11-25 20 H1_Day x06125gb + + - + + + + Ref GCGB460F9-16 Group Crisenza_G
25 11:51:46 20260611-1143-B400_B.11-25 10 H1_Day x06125gb + + - + + + + Ref GCGB460F1-8 Group Crisenza_G
23 11:46:53 20260611-1044-B400_B.11-23 12 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_h2o_11.30 Group Leigh_D
21 11:41:37 20260611-1043-B400_B.11-21 11 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_d3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 11:34:39 20260611-1044-B400_B.11-23 11 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_h2o_11.30 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 11:18:10 20260611-1022-B400_B.11-19 12 H1_COSY_HiRes_Night j88755sb + + - + + + + Ref capg-sb-ccapg532 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 11:12:04 20260611-1053-B400_B.11-25 10 H1_Day16 k48162ck + + - + + + + Ref tBu-thio-L10 Group Romanov_A
24 11:07:21 20260611-1052-B400_B.11-24 10 H1_Day16 k48162ck + + - + + + + Ref BenzNHCPtCl Group Romanov_A BenzNHCPtCl sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 11:02:27 20260611-1044-B400_B.11-23 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Slowanh_d3 Group Leigh_D
21 10:57:04 20260611-1043-B400_B.11-21 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Slowanh_d3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 10:42:20 20260611-1022-B400_B.11-19 11 C13_CPD_Night256 j88755sb - + - - - + + Ref capg-sb-ccapg532 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 10:37:43 20260611-1022-B400_B.11-19 10 H1_Night j88755sb + + - + + + + Ref capg-sb-ccapg532 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 10:34:27 20260611-1016-B400_B.11-10 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-48J.2 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 10:32:32 20260611-1027-B400_B.11-9 2420102 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-II-2420101 Group Abbenseth_J SiRi242 SbCyNNNBn PyF5 in Acetonitriled3 before light log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
9 10:28:38 20260611-1027-B400_B.11-9 2420101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2420101 Group Abbenseth_J SiRi242 SbCyNNNBn PyF5 in Acetonitriled3 before light sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:22:56 20260611-1018-B400_B.11-8 10 H1_Day16 p13528bg + + - + + + + Ref BG-005c) crude 24h Group De bo_G
7 10:21:30 20260611-1008-B400_B.11-7 14 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BH4)(BIPPPh)_EP_V2 Group Mills_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
7 10:19:45 20260611-1008-B400_B.11-7 13 P31_CPD_Day z89001ep - + - - - + + Ref Y(BH4)(BIPPPh)_EP_V2 Group Mills_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
7 10:18:18 20260611-1008-B400_B.11-7 12 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BH4)(BIPPPh)_EP_V2 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 10:16:08 20260611-1008-B400_B.11-7 11 P31_CPD_Day z89001ep - + - - - + + Ref Y(BH4)(BIPPPh)_EP_V2 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 10:10:56 20260611-1008-B400_B.11-7 10 H1_Day16 z89001ep + + - + + + + Ref Y(BH4)(BIPPPh)_EP_V2 Group Mills_D
6 10:06:48 20260611-1002-B400_B.11-6 2381101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2381101 Group Abbenseth_J SiRi238 SbCyNNNOtBu Iodotrifluorotoluene in DFB after 5 days 365nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
5 10:02:02 20260611-1001-B400_B.11-5 10 H1_Day16 f56027ch + + - + + + + Ref 20260611deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:52:08 20260611-0929-B400_B.11-2 13 H1_Wide_Day r57145lg - + - - - + + Ref capg_LPG_TPP2Sc2C6H6_CO2_Overnight_RT Group Goodwin_C
2 09:48:58 20260611-0929-B400_B.11-2 12 H1_ExtraWide_Day r57145lg + + - + + + + Ref capg_LPG_TPP2Sc2C6H6_CO2_Overnight_RT Group Goodwin_C
3 09:39:24 20260611-0938-B400_B.11-3 10 H1_Day a53046hl + + - + + + + Ref ph-722-ntf Group Leigh_D 65 c overnight sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:36:21 20260611-0929-B400_B.11-2 11 P31_Wide_Day r57145lg - + - - - + + Ref capg_LPG_TPP2Sc2C6H6_CO2_Overnight_RT Group Goodwin_C sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260611-0929-B400_B.11-2/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260611-0929-B400_B.11-2/11/pdata/1/peaks!
2 09:32:01 20260611-0929-B400_B.11-2 10 H1_Day16 r57145lg + + - + + + + Ref capg_LPG_TPP2Sc2C6H6_CO2_Overnight_RT Group Goodwin_C
1 09:00:00 20260601-1034-B400_B.11-1 19 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/19/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/19/pdata/1/peaks No peak is found in the specified ranges!
51 07:06:06 20260611-0705-B400_B.11-51 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1698 After 20h in acetone - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 05:56:58 20260610-1810-B400_B.11-13 13 H1_NOESY_US_Night a53046hl - + - - - + + Ref ph-722-16car Group Leigh_D 60 c 2h
13 03:20:57 20260610-1810-B400_B.11-13 12 H1_COSY_NS64_Night a53046hl - + - - - + x Ref ph-722-16car Group Leigh_D 60 c 2h calcphhomo: phase correction aborted magnitude or undefined data, calcphhomo: phase correction aborted magnitude or undefined data
13 03:15:58 20260610-1810-B400_B.11-13 11 H1_Night a53046hl + + - + + + + Ref ph-722-16car Group Leigh_D 60 c 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 03:14:14 20260610-1748-B400_B.11-7 3150131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-15 Group Abbenseth_J JA-SiS-III-15 P(NNN)Br2 after wrk up - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 03:09:54 20260610-1748-B400_B.11-7 3150101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-15 Group Abbenseth_J JA-SiS-III-15 P(NNN)Br2 after wrk up - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:07:37 20260610-1748-B400_B.11-7 3150231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-15 Group Abbenseth_J JA-SiS-III-15 P(NNN) after work up -31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:02:59 20260610-1748-B400_B.11-7 3150201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-15 Group Abbenseth_J JA-SiS-III-15 P(NNN) after work up -1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 02:25:16 20260610-1557-B400_B.11-12 2100306 H1_C13_HMBC_Night w05220ss + + - + + + + Ref JA-SiRi-II-2100301 Group Abbenseth_J SiRi210 SbCyNNNBn crypt in Acetonitrile full abalysis mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
53 01:50:07 20260610-1148-B400_B.11-53 16 H1_C13_HMBC_Night b59259yj - + - - - + + Ref MTYJ623580 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
53 01:34:46 20260610-1148-B400_B.11-53 15 H1_C13_HSQC_Night b59259yj - + - - - + + Ref MTYJ623580 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
53 01:21:15 20260610-1148-B400_B.11-53 14 H1_COSY_HiRes_Night b59259yj - + - - - + + Ref MTYJ623580 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
53 01:06:59 20260610-1148-B400_B.11-53 13 C13_CPD_Night256 b59259yj - + - - - + + Ref MTYJ623580 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 01:04:45 20260610-1148-B400_B.11-53 12 H1_Night b59259yj - + - - - + + Ref MTYJ623580 Group Turner_M
53 00:11:00 20260610-1148-B400_B.11-53 11 C13_CPD_Night1024 b59259yj - + - - - + + Ref MTYJ623580 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 22:42:33 20260610-1148-B400_B.11-53 10 H1_Night1024 b59259yj + + - + + + + Ref MTYJ623580 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 22:27:01 20260610-2224-B400_B.11-52 10 H1_Night128 m09677nb + + - + + + + Ref zi Group Greaney_M
51 22:13:35 20260610-1153-B400_B.11-51 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1698 Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 21:58:14 20260610-1153-B400_B.11-51 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1698 Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 21:23:05 20260610-1153-B400_B.11-51 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1698 Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 21:20:52 20260610-1153-B400_B.11-51 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1698 Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 20:24:51 20260610-1153-B400_B.11-51 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1698 Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 20:20:18 20260610-1903-B400_B.11-58 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
4 20:16:55 20260610-1854-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF169 fuelled 143h Group Leigh_D ALF169 fuelled 143h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 20:13:50 20260610-1853-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF168 fuelled 143h Group Leigh_D ALF168 fuelled 143h
2 20:10:09 20260610-1852-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 158h Group Leigh_D ALF167 fuelled 158h
57 19:55:53 20260610-1817-B400_B.11-57 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-1st cycle-4.2-THF-residue-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 19:41:37 20260610-1817-B400_B.11-57 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-1st cycle-4.2-THF-residue-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 19:27:21 20260610-1816-B400_B.11-56 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-1st cycle-4.2 equiv.-more THF added in Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 19:13:51 20260610-1816-B400_B.11-56 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-1st cycle-4.2 equiv.-more THF added in Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 18:59:21 20260610-1815-B400_B.11-55 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-DME filtate-4.2 equiv-drooops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 18:44:21 20260610-1815-B400_B.11-55 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-DME filtate-4.2 equiv-drooops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 18:40:56 20260610-1812-B400_B.11-15 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf Group Leigh_D 65 c 18h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 18:37:29 20260610-1812-B400_B.11-14 10 H1_Day a53046hl + + - + + + + Ref ph-722-bf4 Group Leigh_D 65 c 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 18:33:33 20260610-1810-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-722-16car Group Leigh_D 60 c 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 17:36:43 20260610-1120-B400_B.11-6 10 C13_CPD_Night1024 w52164bc + + - + + + + Ref BC-11-231 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:30:40 20260610-1718-B400_B.11-34 10 H1_Day m52750pm + + - + + + + Ref GC-MA2-Boc-B Group Crisenza_G
32 17:25:53 20260610-1716-B400_B.11-32 10 H1_Day m52750pm + + - + + + + Ref GC-MA2-E Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 17:21:45 20260610-1715-B400_B.11-31 10 H1_Day m52750pm + + - + + + + Ref MP_allylBr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 17:18:33 20260610-1715-B400_B.11-30 10 H1_Day m52750pm + + - + + + + Ref MP_sm Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 17:15:05 20260610-1714-B400_B.11-29 10 H1_Day m52750pm + + - + + + + Ref MP81_fr32-33 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 17:05:19 20260610-1658-B400_B.11-27 10 H1_Day16 p13528bg + + - + + + + Ref BG-005c) crude 5h Group De bo_G
26 17:03:21 20260610-1655-B400_B.11-26 11 C13_CPD_Day c54994yc - + - - - + + Ref 1hours 100mg ny6 50mg sc tube reactccc Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 16:57:45 20260610-1655-B400_B.11-26 10 H1_Day c54994yc + + - + + + + Ref 1hours 100mg ny6 50mg sc tube react Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 16:39:58 20260610-1557-B400_B.11-12 2100305 H1_C13_HSQC_Night w05220ss + + - + + + + Ref JA-SiRi-II-2100301 Group Abbenseth_J SiRi210 SbCyNNNBn crypt in Acetonitrile full abalysis mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 16:35:19 20260608-1708-B400_B.11-14 11 H1_Day c96786as + + - + + + + Ref sjw-as-42cr Group Webb_S
12 16:21:53 20260610-1557-B400_B.11-12 2100304 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-SiRi-II-2100301 Group Abbenseth_J SiRi210 SbCyNNNBn crypt in Acetonitrile full abalysis mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 16:06:46 20260610-1557-B400_B.11-12 2100303 C13_CPD_Night256 w05220ss - + - - - + + Ref JA-SiRi-II-2100301 Group Abbenseth_J SiRi210 SbCyNNNBn crypt in Acetonitrile full abalysis
12 16:04:27 20260610-1557-B400_B.11-12 2100302 H1_Night w05220ss - + - - - + + Ref JA-SiRi-II-2100301 Group Abbenseth_J SiRi210 SbCyNNNBn crypt in Acetonitrile full abalysis sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 16:00:58 20260610-1557-B400_B.11-12 2100301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2100301 Group Abbenseth_J SiRi210 SbCyNNNBn crypt in Acetonitrile full abalysis sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:57:35 20260610-1556-B400_B.11-11 2410101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2410101 Group Abbenseth_J SbCyNNNBn BnBr in Acetonitriled3 (purple) sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:54:21 20260610-1552-B400_B.11-10 10 H1_Day a53046hl + + - + + + + Ref QBB-G58-repeat Group Leigh_D
9 15:50:38 20260610-1550-B400_B.11-9 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02- 48G solid Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:25:58 20260610-1525-B400_B.11-2 10 H1_Day16 p13528bg + + - + + + + Ref BG-005c) crude 3h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 14:48:30 20260610-1447-B400_B.11-2 10 H1_Day16 p13528bg + + - + + + + Ref BG-005c) crude 3h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 14:33:29 20260610-1432-B400_B.11-7 10 H1_Day k48162ck + + - + x + + Ref bulky-thio-K3-P2 Group Romanov_A topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
18 14:17:44 20260610-1416-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1174-b-is Group Procter_D
57 14:07:36 20260610-1354-B400_B.11-57 14 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPPPh)(BH4)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:06:11 20260610-1354-B400_B.11-57 13 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPPPh)(BH4)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:04:27 20260610-1354-B400_B.11-57 12 P31_CPD_Day z89001ep - + - - - + + Ref Y(BIPPPh)(BH4)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:02:03 20260610-1354-B400_B.11-57 11 P31_CPD_Day z89001ep - + - - - + + Ref Y(BIPPPh)(BH4)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 13:57:35 20260610-1354-B400_B.11-57 10 H1_Day16 z89001ep + + - + + + + Ref Y(BIPPPh)(BH4)_EP Group Mills_D
56 13:54:01 20260610-1211-B400_B.11-56 11 H1_Day a53046hl + + - + + + + Ref ph-318-znbf4 Group Leigh_D + bis-pyr sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 13:16:46 20260610-1305-B400_B.11-43 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1697(ii) Prep Main Band - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 13:11:56 20260610-1305-B400_B.11-42 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1700 Mixture after 2 weeks at 60oC - Acetone-d6 Group De bo_G
41 13:06:37 20260610-1304-B400_B.11-41 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN Hexynoic anhydride crude after 10 days at rt - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 12:46:59 20260610-1230-B400_B.11-4 10 H1_Day m52750pm + + - + + + + Ref MP81 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:42:37 20260610-1228-B400_B.11-3 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-P5/an-1/1 Group De bo_G
2 12:36:46 20260610-1227-B400_B.11-2 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-anthranene Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 12:30:45 20260610-1226-B400_B.11-59 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-2 Group De bo_G
58 12:26:07 20260610-1218-B400_B.11-58 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1175-ac Group Procter_D
57 12:22:39 20260610-1211-B400_B.11-57 10 H1_Day a53046hl + + - + + + + Ref ph-722-bf4 Group Leigh_D 60 c 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:18:57 20260610-1211-B400_B.11-56 10 H1_Day a53046hl + + - + + + + Ref ph-318-znbf4 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:14:54 20260610-1209-B400_B.11-55 10 H1_Day x06125gb + + - + + + + Ref GCGBLynCr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 12:10:47 20260610-1209-B400_B.11-54 10 H1_Day x06125gb + + - + + + + Ref GCGB351Cr Group Crisenza_G
52 11:46:19 20260610-1140-B400_B.11-52 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1699 Column Runoff 3 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 11:41:36 20260610-1140-B400_B.11-51 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1698 Prep Main Band - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 11:29:45 20260610-1104-B400_B.11-5 10 H1_Day16 p13528bg + + - + + + + Ref BG-015c) crude 96h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 11:17:31 20260610-1043-B400_B.11-4 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-69D2 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 11:04:09 20260610-1043-B400_B.11-3 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-69D1 Group Trowbridge_A
2 11:00:03 20260610-1043-B400_B.11-2 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-72B Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:46:02 20260610-1043-B400_B.11-8 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-69E Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:35:20 20260610-1034-B400_B.11-6 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1175-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 10:29:44 20260610-1019-B400_B.11-5 10 H1_Day z92209cg + + - + + + + Ref ALPH B diester prodip crude Group Leigh_D ALPH B diester prodip crude (tetraphenylB synthesized from Br SM)
4 10:26:15 20260610-1018-B400_B.11-4 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-48K Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:23:13 20260610-1017-B400_B.11-3 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-48J Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:19:50 20260610-1016-B400_B.11-2 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-48G washed Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 10:06:02 20260601-1034-B400_B.11-1 18 H1_make_shim.icon service - + - - - + + Ref sucrose shim Group Service
1 09:48:48 20260601-1034-B400_B.11-1 17 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/17/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/17/pdata/1/peaks No peak is found in the specified ranges!
12 09:31:28 20260610-0926-B400_B.11-12 10 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D 7 eqv s capmphore sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 09:27:49 20260610-0925-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf Group Leigh_D 60 c overnight sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:01 20260601-1034-B400_B.11-1 18 H1_make_shim.icon service x - - - - - - Ref sucrose shim Group Service WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.1'.
20 08:21:51 20260610-0817-B400_B.11-20 11 C13_CPD_Day w16692pj - + - - - + + Ref La2La3 1day Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 08:18:52 20260610-0817-B400_B.11-20 10 H1_Day w16692pj + + - + + + + Ref La2La3 1day Group Winpenny_R
24 07:47:42 20260609-1824-B400_B.11-24 10180101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-18 Group Abbenseth_J `JA-CD-I-18 H2NON + BiCl3 filtered sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 07:43:11 20260609-1751-B400_B.11-58 10160101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-16 Group Abbenseth_J JA-CD-I-16 H2NON + BI3 filtered sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 07:38:49 20260609-1746-B400_B.11-3 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-121 Group Mills_D La(Cptt)3 + CO2 200 mg
3 07:35:51 20260609-1746-B400_B.11-3 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-121 Group Mills_D La(Cptt)3 + CO2 200 mg sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 07:32:12 20260609-1745-B400_B.11-2 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-111C Group Mills_D La(Cptt)3 batch 3 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 06:36:30 20260609-1743-B400_B.11-21 10 C13_CPD_Night1024 e02956op + + - + + + + Ref GDB-OP0519-13C_MeCNd3_1k Group De bo_G
6 06:01:21 20260609-1706-B400_B.11-6 15 H1_C13_HMBC_Night z40973rs - + - - - + + Ref gdb-rs-256-crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 05:46:00 20260609-1706-B400_B.11-6 14 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-256-crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 05:43:46 20260609-1706-B400_B.11-6 13 H1_Night z40973rs - + - - - + + Ref gdb-rs-256-crude Group De bo_G
6 05:41:50 20260609-1706-B400_B.11-6 12 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-256-crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 05:33:40 20260609-1706-B400_B.11-6 11 H1_COSY_Day z40973rs + + - + + + + Ref gdb-rs-256-crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 04:58:31 20260609-1554-B400_B.11-49 16 H1_C13_HMBC_Night p98090lm - + - - - + + Ref MTYJ623583 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 04:43:10 20260609-1554-B400_B.11-49 15 H1_C13_HSQC_Night p98090lm - + - - - + + Ref MTYJ623583 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 04:29:39 20260609-1554-B400_B.11-49 14 H1_COSY_HiRes_Night p98090lm - + - - - + + Ref MTYJ623583 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 04:15:23 20260609-1554-B400_B.11-49 13 C13_CPD_Night256 p98090lm - + - - - + + Ref MTYJ623583 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 04:10:44 20260609-1554-B400_B.11-49 12 H1_Night p98090lm + + - + + + + Ref MTYJ623583 Group Turner_M
51 03:55:33 20260610-0301-B400_B.11-51 10 H1_Night128 m09677nb + + - + + + + Ref 2ph zi Group Greaney_M
50 03:41:52 20260610-0301-B400_B.11-50 10 H1_Night128 m09677nb + + - + + + + Ref sulpho zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 02:48:06 20260609-1554-B400_B.11-49 11 C13_CPD_Night1024 p98090lm - + - - - + + Ref MTYJ623583 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 01:19:19 20260609-1554-B400_B.11-49 10 H1_Night1024 p98090lm + + - + + + + Ref MTYJ623583 Group Turner_M
39 00:44:10 20260609-1532-B400_B.11-39 16 H1_C13_HMBC_Night b59259yj - + - - - + + Ref MTYJ643048 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 00:28:48 20260609-1532-B400_B.11-39 15 H1_C13_HSQC_Night b59259yj - + - - - + + Ref MTYJ643048 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 00:15:16 20260609-1532-B400_B.11-39 14 H1_COSY_HiRes_Night b59259yj - + - - - + + Ref MTYJ643048 Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 00:01:00 20260609-1532-B400_B.11-39 13 C13_CPD_Night256 b59259yj - + - - - + + Ref MTYJ643048 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 23:58:47 20260609-1532-B400_B.11-39 12 H1_Night b59259yj - + - - - + + Ref MTYJ643048 Group Turner_M
39 23:02:33 20260609-1532-B400_B.11-39 11 C13_CPD_Night1024 b59259yj + + - + + + + Ref MTYJ643048 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 22:54:54 20260609-2231-B400_B.11-40 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
39 21:58:49 20260609-1532-B400_B.11-39 10 C13_CPD_Night1024 b59259yj + + - + + + + Ref MTYJ643048 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 21:54:06 20260609-2041-B400_B.11-56 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
55 21:50:34 20260609-2037-B400_B.11-55 10 H1_Day z92209cg + + - + + + + Ref AL116 col 2 fr 46-fin Group Leigh_D AL116 col 2 fr 46-fin sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 21:46:03 20260609-2037-B400_B.11-54 10 H1_Day z92209cg + + - + + + + Ref AL116 col 2 fr 25-45 Group Leigh_D AL116 col 2 fr 25-45 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 21:41:33 20260609-2036-B400_B.11-53 10 H1_Day z92209cg + + - + + + + Ref AL116 col 2 fr 14-24 Group Leigh_D AL116 col 2 fr 14-24
52 21:36:23 20260609-2034-B400_B.11-52 10 H1_Day z92209cg + + - + + + + Ref AL116 col 2 fr 3-13 Group Leigh_D AL116 col 2 fr 3-13 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 21:22:57 20260609-1204-B400_B.11-51 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1697(ii) Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 21:07:36 20260609-1204-B400_B.11-51 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1697(ii) Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 20:32:27 20260609-1204-B400_B.11-51 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1697(ii) Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 20:27:35 20260609-1204-B400_B.11-51 11 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1697(ii) Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 20:24:08 20260609-1919-B400_B.11-26 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf Group Leigh_D 60 c 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 20:20:22 20260609-1917-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref ph-722-bf4 Group Leigh_D 60 c 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 20:05:55 20260609-1909-B400_B.11-54 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-1st-4.2 equiv.-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 19:51:07 20260609-1909-B400_B.11-54 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-1st-4.2 equiv.-drops of THF Group Liddle_S
51 18:54:45 20260609-1204-B400_B.11-51 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1697(ii) Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 18:48:38 20260609-1821-B400_B.11-37 10 H1_Night c54994yc + + - + + + + Ref fix bed ny6 300 sc 2 hours Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 18:45:14 20260609-1514-B400_B.11-36 11 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D 6 eqv s-camphore sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 18:41:24 20260609-1810-B400_B.11-23 10 H1_Day a53046hl + + - + + + + Ref ph-722-10car-otf Group Leigh_D 60 c 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 18:04:09 20260609-0849-B400_B.11-20 15 H1_C13_HMBC_Night w16692pj + + - + + + + Ref La2La3 Tol Group Winpenny_R mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
57 17:47:22 20260609-1650-B400_B.11-57 11 C13_CPD_Night256 mbdxrlw2 + + - + + + + Ref lw020_tolextract Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 17:30:12 20260609-1620-B400_B.11-55 13 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-I2-NaC4TMS-hex supertanant-neat C6D6 Group Liddle_S
6 17:22:16 20260609-1706-B400_B.11-6 10 H1_Day z40973rs + + - + + + + Ref gdb-rs-256-crude Group De bo_G
5 17:18:51 20260609-1705-B400_B.11-5 10 H1_Day z92209cg + + - + + + + Ref ALF169 fuelled 118h Group Leigh_D ALF169 fuelled 118h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 17:15:39 20260609-1704-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF168 fuelled 118h Group Leigh_D ALF168 fuelled 118h
3 17:11:52 20260609-1702-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 133h Group Leigh_D ALF167 fuelled 133h
2 17:08:39 20260609-1659-B400_B.11-2 10 H1_Day c96786as + + - + + + + Ref sjw-as-41-2 Group Webb_S
59 17:05:00 20260609-1658-B400_B.11-59 10 H1_Day c96786as + + - + + + + Ref sjw-as-41-1 Group Webb_S
58 17:00:28 20260609-1658-B400_B.11-58 10 H1_Day c96786as + + - + + + + Ref sjw-as-41sm Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 16:55:21 20260609-1650-B400_B.11-57 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw020_tolextract Group Mills_D
56 16:42:23 20260609-1641-B400_B.11-56 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 476 (crude) Group Procter_D
55 16:30:48 20260609-1620-B400_B.11-55 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-I2-NaC4TMS-hex supertanant-neat C6D6 Group Liddle_S
55 16:25:04 20260609-1620-B400_B.11-55 12 Si29_DEPT90_Day b19299kh - + - - - + + Ref STL-XLD-I2-NaC4TMS-hex supertanant-neat C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260609-1620-B400_B.11-55/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260609-1620-B400_B.11-55/12/pdata/1/peaks!
55 16:21:28 20260609-1620-B400_B.11-55 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2-NaC4TMS-hex supertanant-neat C6D6 Group Liddle_S
48 15:57:12 20260609-1553-B400_B.11-48 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-48-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 15:53:55 20260609-1553-B400_B.11-48 10 H1_Day u67812sg + + - + + + + Ref sq-2-48-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 15:40:56 20260609-1523-B400_B.11-47 10 H1_Day x06125gb + + - + + + + Ref RK33 Group Crisenza_G
38 15:36:25 20260609-1517-B400_B.11-38 10100201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-10 Group Abbenseth_J JA-CD-I-10 2nd batch recry sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 15:32:51 20260609-1514-B400_B.11-37 10 H1_Day a53046hl + + - + + + + Ref ph-722-bf4 Group Leigh_D all added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 15:29:16 20260609-1514-B400_B.11-36 10 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D 5 eqv s-camphore sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 15:13:01 20260609-1113-B400_B.11-35 10 C13_CPD_Night256 w12998gm + + - + + + + Ref il-gm-10-066-col2 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 15:08:51 20260609-1448-B400_B.11-39 10 H1_Day16 p13528bg + + - + + + + Ref BG-015c) crude 96h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 15:05:14 20260609-1447-B400_B.11-38 10 H1_Day z61799af + + - + + + + Ref AF-374-WorkedUp Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 15:01:44 20260609-1437-B400_B.11-37 10 H1_Day a53046hl + + - + + + + Ref ph-722-bf4 Group Leigh_D all added rt sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 14:57:56 20260609-1436-B400_B.11-36 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf-2nd Group Leigh_D 60 c 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 14:54:12 20260609-1429-B400_B.11-34 10 H1_Day z92209cg + + - + + + + Ref AL116 SM Group Leigh_D AL116 SM sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 14:47:57 20260609-1429-B400_B.11-32 10 H1_Day16 z92209cg + + - + + + + Ref AL116 fr 38-end Group Leigh_D AL116 fr 38-end sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 14:43:06 20260609-1428-B400_B.11-31 10 H1_Day z92209cg + + - + + + + Ref AL116 fr 16-37 Group Leigh_D AL116 fr 16-37 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 14:37:19 20260609-1428-B400_B.11-30 10 H1_Day z92209cg + + - + + + + Ref AL116 fr 10-15 Group Leigh_D AL116 fr 10-15 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 14:19:45 20260609-1110-B400_B.11-29 11 C13_CPD_Night256 mbdxrlw2 + + - + + + + Ref lw020_hexaneextract Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:17:29 20260609-1359-B400_B.11-57 3110331 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-11 Group Abbenseth_J JA-SiS-III-11 P(NNN) after recry THF/ACN - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:13:04 20260609-1359-B400_B.11-57 3110301 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-11 Group Abbenseth_J JA-SiS-III-11 P(NNN) after recry THF/ACN - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 14:08:14 20260609-1323-B400_B.11-52 50 H1_Day x06125gb + + - + x + + Ref RK34-RT Group Crisenza_G topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 14:05:04 20260609-1323-B400_B.11-52 40 H1_Day x06125gb + + - + + + + Ref RK34-C Group Crisenza_G
54 14:01:50 20260609-1323-B400_B.11-52 30 H1_Day x06125gb + + - + + + + Ref RK33-C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 13:58:39 20260609-1323-B400_B.11-52 20 H1_Day x06125gb + + - + + + + Ref RK32-C Group Crisenza_G
52 13:55:20 20260609-1323-B400_B.11-52 10 H1_Day x06125gb + + - + + + + Ref RK31-C Group Crisenza_G
38 13:51:20 20260609-1347-B400_B.11-38 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1010-later-f Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 13:47:35 20260609-1321-B400_B.11-37 10 H1_Day a53046hl + + - + + + + Ref ph-722-10car Group Leigh_D all added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 13:45:40 20260609-1317-B400_B.11-36 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-46-2p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 13:41:35 20260609-1317-B400_B.11-36 10 H1_Day u67812sg + + - + + + + Ref sq-2-46-2p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 13:39:39 20260609-1317-B400_B.11-34 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-43-9p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 13:35:21 20260609-1317-B400_B.11-34 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-9p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 13:30:25 20260609-1315-B400_B.11-32 10 H1_Day16 p13528bg + + - + x + + Ref BG-028 crude + Fba Group De bo_G topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 13:25:40 20260609-1314-B400_B.11-31 10 H1_Day16 p13528bg + + - + + + + Ref BG-027b) tt24 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:23:27 20260609-1308-B400_B.11-30 13 H1_Day16 z92209cg - + - - - + + Ref SX1-16-1H Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:18:57 20260609-1308-B400_B.11-30 12 C13_DEPT90_Day z92209cg - + - - - + + Ref SX1-16-13C-DEPT90 Group Leigh_D
30 13:14:36 20260609-1308-B400_B.11-30 11 C13_DEPT135_Day z92209cg - + - - - + + Ref SX1-16-13C-DEPT135 Group Leigh_D
30 13:10:13 20260609-1308-B400_B.11-30 10 C13_CPD_Day z92209cg + + - + + + + Ref SX1-16-13C Group Leigh_D
28 12:52:37 20260609-1109-B400_B.11-28 10 C13_CPD_Night256 w52164bc + + - + + + + Ref BC-11-231 P1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 12:48:31 20260609-1237-B400_B.11-46 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1698(i) Mixture after 20h - Acetone-d6 Group De bo_G
45 12:43:49 20260609-1236-B400_B.11-45 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D4-prep-40/1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 12:39:01 20260609-1235-B400_B.11-44 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1174-is Group Procter_D
43 12:34:42 20260609-1212-B400_B.11-41 30 H1_Day16 p13528bg + + - + + + + Ref BG-027b) tt27 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 12:30:38 20260609-1212-B400_B.11-41 20 H1_Day16 p13528bg + + - + + + + Ref BG-027b) tt15 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 12:26:22 20260609-1212-B400_B.11-41 10 H1_Day16 p13528bg + + - + + + + Ref BG-027b) tt12 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 12:22:52 20260609-1126-B400_B.11-40 10 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D 4 eqv s-camphor sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 12:18:29 20260609-1121-B400_B.11-39 10 H1_Day x06125gb + + - + + + + Ref GCGB457Pr Group Crisenza_G
38 12:14:18 20260609-1121-B400_B.11-38 10 H1_Day x06125gb + + - + + + + Ref GCGB465Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 12:10:40 20260609-1119-B400_B.11-37 10 H1_Day f09303eg + + - + + + + Ref EG78 Group Webb_S
36 12:07:26 20260609-1119-B400_B.11-36 10 H1_Day c96786as + + - + + + + Ref sjw-as-41cr Group Webb_S
34 12:01:43 20260609-1113-B400_B.11-34 10 H1_Day w12998gm + + - + + + + Ref il-gm-10-sm-ketphpycol Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 12:01:14 20260609-1111-B400_B.11-33 10 H1_Day16 mbdxrlw2 x - - - - - - Ref lw020_tolextract Group Mills_D WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.33'.
32 11:57:15 20260609-1125-B400_B.11-32 10 H1_Day z16689fe + + - + + + + Ref DJP FE 479 Group Procter_D COLUMNED sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 11:44:07 20260609-1103-B400_B.11-31 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-73D Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 11:31:31 20260609-1103-B400_B.11-30 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-73C Group Trowbridge_A
29 11:26:18 20260609-1110-B400_B.11-29 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw020_hexaneextract Group Mills_D
27 11:20:07 20260609-1106-B400_B.11-27 10 H1_Day j40457bh + + - + + + + Ref bh se 68 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 11:16:23 20260609-1102-B400_B.11-26 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-70C Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 11:12:16 20260609-1102-B400_B.11-25 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-70A Group Trowbridge_A
24 11:08:52 20260609-1102-B400_B.11-24 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-74 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 11:03:49 20260609-1100-B400_B.11-23 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_39 Group Leigh_D
21 10:58:05 20260609-1057-B400_B.11-21 10 H1_Day r25963ar + + - + + + + Ref BiCAuCl Group Romanov_A BiCAuCl sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:53:33 20260609-1049-B400_B.11-3 10 H1_Day a53046hl + + - + + + + Ref DC-24C8-MFAT-GPCF2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:49:28 20260609-1048-B400_B.11-2 10 H1_Day a53046hl + + - + + + + Ref DC-A9C-Macrocycle-BH3red-wu-d2o Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 10:34:33 20260609-1031-B400_B.11-33 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf Group Leigh_D 60 c 30 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 10:30:34 20260609-1022-B400_B.11-32 10 H1_Day m52750pm + + - + + + + Ref GC-MA2-Boc-a Group Crisenza_G
32 10:24:30 20260609-1022-B400_B.11-32 10 H1_Day m52750pm x - - - - - - Ref GC-MA2-Boc-a Group Crisenza_G WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.32'.
26 10:13:47 20260609-1012-B400_B.11-26 3140301 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-14 Group Abbenseth_J JA-SiS-III-14 H3NNN aftter additiontal wash with hexane sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 09:55:15 20260609-0942-B400_B.11-25 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-831-(c) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 09:52:05 20260609-0941-B400_B.11-24 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-831-(b) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 09:48:32 20260609-0941-B400_B.11-23 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-831-(a) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 09:45:03 20260609-0929-B400_B.11-21 10 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D 3eqv s camphore sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 09:29:41 20260609-0849-B400_B.11-20 14 H1_C13_HSQC_Night w16692pj - + - - - + + Ref La2La3 Tol Group Winpenny_R mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 09:27:25 20260609-0849-B400_B.11-20 13 H1_Night w16692pj - + - - - + + Ref La2La3 Tol Group Winpenny_R
20 09:21:35 20260609-0849-B400_B.11-20 12 H1_COSY_Day w16692pj - + - - - + + Ref La2La3 Tol Group Winpenny_R mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 09:19:38 20260609-0849-B400_B.11-20 11 C13_CPD_Day w16692pj - + - - - + + Ref La2La3 Tol Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 09:15:38 20260609-0849-B400_B.11-20 10 H1_Day w16692pj + + - + + + + Ref La2La3 Tol Group Winpenny_R
1 09:00:01 20260601-1034-B400_B.11-1 17 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
31 08:11:31 20260609-0810-B400_B.11-31 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1697(ii) Mixture after 22h - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 02:57:55 20260608-2353-B400_B.11-23 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-703 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
23 02:23:05 20260608-2353-B400_B.11-23 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-703 Group Procter_D
23 02:07:51 20260608-2353-B400_B.11-23 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-703 Group Procter_D
23 02:03:31 20260608-2353-B400_B.11-23 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-703 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 01:48:31 20260608-2353-B400_B.11-23 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-703 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 01:42:47 20260608-2353-B400_B.11-23 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-703 Group Procter_D
22 23:06:46 20260608-2034-B400_B.11-22 13 H1_COSY_NS64_Night a53046hl - + - - - + x Ref ph-722-otf Group Leigh_D calcphhomo: phase correction aborted magnitude or undefined data, calcphhomo: phase correction aborted magnitude or undefined data
22 23:04:28 20260608-2034-B400_B.11-22 12 H1_Night a53046hl - + - - - + + Ref ph-722-otf Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 23:00:40 20260608-2034-B400_B.11-22 10 H1_Day a53046hl + + - + + + + Ref ph-722-otf Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 22:55:55 20260608-1811-B400_B.11-18 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_slowanh_fueled 6.05 Group Leigh_D
17 22:50:33 20260608-1811-B400_B.11-17 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_slowanh_fueled 6.05 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 22:43:31 20260608-1737-B400_B.11-16 10 Si29_DEPT90_Day z16689fe + + - + + + + Ref DJP FE Si (ref) Group Procter_D sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/z16689fe/nmr/20260608-1737-B400_B.11-16/10/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/z16689fe/nmr/20260608-1737-B400_B.11-16/10/pdata/1/peaks!
14 22:37:39 20260608-1708-B400_B.11-14 10 H1_Day16 k48162ck + + - + + + + Ref BNO-Br-P1 Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 22:24:48 20260608-1541-B400_B.11-21 15 H1_NOESY_Night mbdxkrn2 - + - - - + + Ref GDB-RN1694 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 22:11:16 20260608-1541-B400_B.11-21 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1694 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 21:55:54 20260608-1541-B400_B.11-21 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1694 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 21:20:45 20260608-1541-B400_B.11-21 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1694 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 21:18:14 20260608-1541-B400_B.11-21 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1694 Full Char - CDCl3 Group De bo_G
21 20:22:12 20260608-1541-B400_B.11-21 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1694 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 20:19:29 20260608-1237-B400_B.11-5 21 Si29_NoCPD_Day r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260608-1237-B400_B.11-5/21/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260608-1237-B400_B.11-5/21/pdata/1/peaks!
5 20:14:44 20260608-1237-B400_B.11-5 20 Si29_DEPT90_Day r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260608-1237-B400_B.11-5/20/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260608-1237-B400_B.11-5/20/pdata/1/peaks!
5 20:11:02 20260608-1237-B400_B.11-5 19 Si29_CPD_Day r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260608-1237-B400_B.11-5/19/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260608-1237-B400_B.11-5/19/pdata/1/peaks!
5 19:33:35 20260608-1237-B400_B.11-5 18 H1_C13_HMBC_Night r57145lg + + - + + + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
7 19:30:05 20260608-1700-B400_B.11-7 12 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D +s-camphore tbu-ammonium 2eqv sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 19:14:44 20260608-1237-B400_B.11-5 17 H1_C13_HSQC_Night r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 19:01:17 20260608-1237-B400_B.11-5 16 H1_COSY_HiRes_Night r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 18:46:22 20260608-1237-B400_B.11-5 15 C13_CPD_Night256 r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C
5 18:40:44 20260608-1237-B400_B.11-5 14 H1_Night r57145lg + + - + + + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C
18 18:35:56 20260608-1811-B400_B.11-18 11 H1_Night h32367lm + + - + + + + Ref LM_Double_slowanh_fueled 6.05 Group Leigh_D
17 18:30:38 20260608-1811-B400_B.11-17 11 H1_Night h32367lm + + - + + + + Ref LM_Single_slowanh_fueled 6.05 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 18:26:47 20260608-1700-B400_B.11-7 11 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D +s-camphore tbu-ammonium 1eqv sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 18:00:51 20260608-1237-B400_B.11-5 13 P31_CPD_Night r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 17:33:39 20260608-1237-B400_B.11-5 12 P31_NoCPD_Night r57145lg + + - + + + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 17:30:07 20260608-1706-B400_B.11-15 10 H1_Day a53046hl + + - + + + + Ref ph-711-fuel Group Leigh_D
10 17:25:25 20260608-1704-B400_B.11-10 10 H1_Day a53046hl + + - + + + + Ref al-169-fuel Group Leigh_D 8 june sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 17:22:14 20260608-1703-B400_B.11-9 10 H1_Day a53046hl + + - + + + + Ref al-168-fuel Group Leigh_D 8 june
8 17:18:43 20260608-1703-B400_B.11-8 10 H1_Day a53046hl + + - + + + + Ref al-167-fuel Group Leigh_D 8 june
7 17:15:03 20260608-1700-B400_B.11-7 10 H1_Day a53046hl + + - + + + + Ref ph-565 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:58:02 20260608-1625-B400_B.11-6 11 C13_CPD_Night256 z61799af + + - + + + + Ref AF-366RC Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 16:52:54 20260608-1641-B400_B.11-9 10 Si29_CPD_Day z16689fe + + - + + + + Ref DJP FE Si (ref) Group Procter_D sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/z16689fe/nmr/20260608-1641-B400_B.11-9/10/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/z16689fe/nmr/20260608-1641-B400_B.11-9/10/pdata/1/peaks!
7 16:38:22 20260608-1625-B400_B.11-7 11 C13_CPD_Night256 z61799af - + - - - + + Ref AF-370RC Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 16:33:09 20260608-1625-B400_B.11-7 10 H1_Day z61799af + + - + + + + Ref AF-370RC Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:26:45 20260608-1625-B400_B.11-6 10 H1_Day z61799af + + - + + + + Ref AF-366RC Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:06:19 20260608-1605-B400_B.11-6 3140101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-14 Group Abbenseth_J JA-SiS-III-14 H3NNN after work up sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 15:10:01 20260608-1504-B400_B.11-3 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D4-t3-1-ace Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:05:25 20260608-1503-B400_B.11-2 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D4-t3-ace Group De bo_G
60 14:59:09 20260608-1008-B400_B.11-60 12 C13_CPD_Night256 b19299kh x - - - - - - Ref STL-XLD-Cl2-refllux-drops of THF Group Liddle_S WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.60'.
13 14:54:36 20260608-1351-B400_B.11-11 30 H1_Day16 h32367lm + + - + + + + Ref LM_Double_S-fuel_2ulMes Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 14:49:46 20260608-1351-B400_B.11-11 20 H1_Day16 h32367lm + + - + + + + Ref LM_Single_S-fuel_2ulMes Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 14:44:06 20260608-1351-B400_B.11-11 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_DIC_2ulMes Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 14:37:45 20260608-1350-B400_B.11-10 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D4-t3 Group De bo_G
9 14:34:33 20260608-1024-B400_B.11-9 13 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-140-CF3 Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
9 14:32:30 20260608-1024-B400_B.11-9 12 F19_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-140-CF3 Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
9 14:30:16 20260608-1024-B400_B.11-9 11 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-140-CF3 Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1024-B400_B.11-9/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1024-B400_B.11-9/11/pdata/1/peaks!
9 14:24:01 20260608-1024-B400_B.11-9 10 H1_Day j20588jh + + - + + + + Ref HK-DW-140-CF3 Group Natrajan_L
8 14:20:45 20260608-1023-B400_B.11-8 13 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-140-pF-nofilt Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
8 14:18:32 20260608-1023-B400_B.11-8 12 F19_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-140-pF-nofilt Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 14:15:11 20260608-1023-B400_B.11-8 11 B11_CPD_Day j20588jh - + - - - + + Ref HK-DW-140-pF-nofilt Group Natrajan_L sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1023-B400_B.11-8/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1023-B400_B.11-8/11/pdata/1/peaks!
8 14:10:02 20260608-1023-B400_B.11-8 10 H1_Day j20588jh + + - + + + + Ref HK-DW-140-pF-nofilt Group Natrajan_L
7 14:06:46 20260608-1023-B400_B.11-7 13 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-140-pF-filt Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
7 14:04:33 20260608-1023-B400_B.11-7 12 F19_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-140-pF-filt Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1023-B400_B.11-7/12/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1023-B400_B.11-7/12/pdata/1/peaks!
7 14:01:34 20260608-1023-B400_B.11-7 11 B11_CPD_Day j20588jh - + - - - + + Ref HK-DW-140-pF-filt Group Natrajan_L sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1023-B400_B.11-7/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1023-B400_B.11-7/11/pdata/1/peaks!
7 13:57:09 20260608-1023-B400_B.11-7 10 H1_Day j20588jh + + - + x + + Ref HK-DW-140-pF-filt Group Natrajan_L topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
6 13:52:24 20260608-1339-B400_B.11-6 10 H1_Day16 p13528bg + + - + + + + Ref BG-027b) crude 1h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:50:13 20260608-1237-B400_B.11-5 11 P31_Wide_Day r57145lg - + - - - + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:45:40 20260608-1237-B400_B.11-5 10 H1_Day16 r57145lg + + - + + + + Ref capg_LPG_TPPScC6H6ScTPP_Data Group Goodwin_C
4 13:42:59 20260608-1019-B400_B.11-4 12 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-143-CH3LIG Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0
4 13:40:33 20260608-1019-B400_B.11-4 11 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-143-CH3LIG Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1019-B400_B.11-4/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1019-B400_B.11-4/11/pdata/1/peaks!
4 13:35:42 20260608-1019-B400_B.11-4 10 H1_Day j20588jh + + - + + + + Ref HK-DW-143-CH3LIG Group Natrajan_L
3 13:33:30 20260608-1018-B400_B.11-3 13 F19_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-139-pF-0106 Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1018-B400_B.11-3/13/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1018-B400_B.11-3/13/pdata/1/peaks!
3 13:30:28 20260608-1018-B400_B.11-3 12 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-139-pF-0106 Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1018-B400_B.11-3/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1018-B400_B.11-3/12/pdata/1/peaks!
3 13:29:06 20260608-1018-B400_B.11-3 11 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-139-pF-0106 Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1018-B400_B.11-3/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1018-B400_B.11-3/11/pdata/1/peaks!
3 13:22:52 20260608-1018-B400_B.11-3 10 H1_Day j20588jh + + - + + + + Ref HK-DW-139-pF-0106 Group Natrajan_L
2 13:20:39 20260608-1016-B400_B.11-2 12 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-139-pH-0106 Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1016-B400_B.11-2/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1016-B400_B.11-2/12/pdata/1/peaks!
2 13:11:45 20260608-1016-B400_B.11-2 11 P31_Wide_Day j20588jh + + - + + + + Ref HK-DW-139-pH-0106 Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1016-B400_B.11-2/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260608-1016-B400_B.11-2/11/pdata/1/peaks!
12 13:07:24 20260608-1301-B400_B.11-12 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR_gel_double_2ulMes Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:02:06 20260608-1301-B400_B.11-11 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR_gel_single-2ulMes Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:23:42 20260608-1016-B400_B.11-2 10 H1_Day j20588jh + + - + + + + Ref HK-DW-139-pH-0106 Group Natrajan_L Automation was stopped by user
60 10:12:05 20260608-1008-B400_B.11-60 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-Cl2-refllux-drops of THF Group Liddle_S
60 10:08:36 20260608-1008-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-Cl2-refllux-drops of THF Group Liddle_S
36 10:02:46 20260608-1001-B400_B.11-36 10 H1_Day16 p13528bg + + - + + + + Ref BG-015c) 72h crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:01 20260601-1034-B400_B.11-1 16 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 08:11:09 20260608-0809-B400_B.11-41 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1697 Crude - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 16:26:30 20260607-1255-B400_B.11-25 12 H1_Day h32367lm + + - x - - - Ref LM_Single_Anh Group Leigh_D Lock failed after multiple attempts, lock: Command 'lock MeOD' failed. Lock is OFF, Command 'lock MeOD' failed. Lock is OFF
25 15:44:39 20260607-1255-B400_B.11-25 11 H1_Day h32367lm + + - x - - - Ref LM_Single_Anh Group Leigh_D Lock failed after multiple attempts, lock: Command 'lock MeOD' failed. Lock is OFF, Command 'lock MeOD' failed. Lock is OFF
33 15:36:37 20260607-1524-B400_B.11-33 11 H1_Day16 h32367lm + + - + + + + Ref LM_octenoicpegcolf47,48 Group Leigh_D
26 15:33:03 20260607-1255-B400_B.11-26 11 H1_Day h32367lm + + - + + + + Ref LM_Double_Anh Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 15:24:40 20260607-1524-B400_B.11-33 10 H1_Day16 h32367lm + + - x - - - Ref LM_octenoicpegcolf47,48 Group Leigh_D Lock failed after multiple attempts, lock: Command 'lock MeOD' failed. Lock is OFF, Command 'lock MeOD' failed. Lock is OFF
30 13:40:24 20260607-1258-B400_B.11-30 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Stepwise Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 13:35:34 20260607-1258-B400_B.11-29 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Stepwise(Real) Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 13:31:11 20260607-1257-B400_B.11-32 10 H1_Day16 h32367lm + + - + + + + Ref LM_NMR_gel_double Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 13:26:41 20260607-1257-B400_B.11-31 10 H1_Day16 h32367lm + + - + + + + Ref LM_NMR_gel_single Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 13:21:52 20260607-1256-B400_B.11-28 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_S-Fuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 13:16:18 20260607-1256-B400_B.11-27 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_S-fuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 13:11:58 20260607-1255-B400_B.11-26 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Anh Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 13:07:16 20260607-1255-B400_B.11-25 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Anh Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:02:28 20260607-1253-B400_B.11-24 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_DIC Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 12:57:38 20260607-1253-B400_B.11-23 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_DIC Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 12:51:27 20260607-1251-B400_B.11-21 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Stepwise Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260601-1034-B400_B.11-1 15 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/15/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/15/pdata/1/peaks No peak is found in the specified ranges!
16 18:45:18 20260606-1838-B400_B.11-16 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-447-recolumn Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
16 18:39:15 20260606-1838-B400_B.11-16 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-447-recolumn Group Larrosa_I
2 16:57:46 20260606-1656-B400_B.11-2 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1169-crude Group Procter_D
7 14:49:07 20260606-1432-B400_B.11-6 20 H1_Night128 m09677nb + + - + + + + Ref 2ph zk sulpho Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:34:15 20260606-1432-B400_B.11-6 10 H1_Night128 m09677nb + + - + + + + Ref 2ph zi sulpho Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:01:32 20260606-1400-B400_B.11-6 10 H1_Night128 m09677nb + + - + + + + Ref 490i Group Greaney_M
3 10:13:59 20260605-2105-B400_B.11-2 25 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-692 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
3 09:39:08 20260605-2105-B400_B.11-2 24 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-692 Group Procter_D
3 09:23:52 20260605-2105-B400_B.11-2 23 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-692 Group Procter_D
3 09:15:43 20260605-2105-B400_B.11-2 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-692 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:01 20260601-1034-B400_B.11-1 14 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 08:40:41 20260605-2014-B400_B.11-59 13 Si29_DEPT90_Day b19299kh + + - + + + + Ref STL-XLD_Na2C4TMS-with precursor-dthf-added in Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260605-2014-B400_B.11-59/13/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260605-2014-B400_B.11-59/13/pdata/1/peaks!
48 08:39:16 20260605-1817-B400_B.11-48 3140133 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-14 Group Abbenseth_J JA-SiS-III-14 P(NNN) NH3 TTT - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 08:37:50 20260605-1817-B400_B.11-48 3140132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-14 Group Abbenseth_J JA-SiS-III-14 P(NNN) NH3 TTT - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 08:35:25 20260605-1817-B400_B.11-48 3140131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-14 Group Abbenseth_J JA-SiS-III-14 P(NNN) NH3 TTT - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 08:31:17 20260605-1817-B400_B.11-48 3140101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-14 Group Abbenseth_J JA-SiS-III-14 P(NNN) NH3 TTT - 1H
47 08:26:50 20260605-1814-B400_B.11-47 10100101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-10 Group Abbenseth_J JA-CD-I-10 H2NON recry dryin o/n sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 08:22:45 20260605-1813-B400_B.11-45 10140101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-14 Group Abbenseth_J JA-CD-I-14 H2NON + BiCl3 filt and hex wash sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 08:18:25 20260605-1812-B400_B.11-44 10150101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-15 Group Abbenseth_J JA-CD-I-15 H2NON + BiI3 filt sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 07:51:10 20260605-1745-B400_B.11-52 15 C13_DEPT135_Night f11141tm - + - - - + + Ref TMS-que-ben CNMR DEPT135 Group Yang_S
52 07:23:49 20260605-1745-B400_B.11-52 14 C13_DEPT90_Night f11141tm - + - - - + + Ref TMS-que-ben CNMR DEPT90 Group Yang_S
52 07:08:28 20260605-1745-B400_B.11-52 13 H1_C13_HSQC_Night f11141tm - + - - - + + Ref TMS-que-ben HSQC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 06:54:12 20260605-1745-B400_B.11-52 11 C13_CPD_Night256 f11141tm - + - - - + + Ref TMS-que-ben CNMR ns256 Group Yang_S
52 06:39:16 20260605-1745-B400_B.11-52 10 H1_Night128 f11141tm + + - + + + + Ref TMS-que-ben HNMR ns128 Group Yang_S
51 06:11:57 20260605-1742-B400_B.11-51 16 C13_DEPTQ_Night f11141tm - + - - - + + Ref H2Sal(BN)N CNMR DEPTQ Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 05:44:42 20260605-1742-B400_B.11-51 15 C13_DEPT135_Night f11141tm - + - - - + + Ref H2Sal(BN)N CNMR DEPT135 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 05:17:19 20260605-1742-B400_B.11-51 14 C13_DEPT90_Night f11141tm - + - - - + + Ref H2Sal(BN)N CNMR DEPT90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 05:01:57 20260605-1742-B400_B.11-51 12 H1_C13_HSQC_Night f11141tm - + - - - + + Ref H2Sal(BN)N HSQC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 04:47:41 20260605-1742-B400_B.11-51 11 C13_CPD_Night256 f11141tm - + - - - + + Ref H2Sal(BN)N CNMR ns256 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 04:33:36 20260605-1742-B400_B.11-51 10 H1_Night128 f11141tm + + - + + + + Ref H2Sal(BN)N HNMR ns128 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 03:58:27 20260605-1723-B400_B.11-43 14 H1_C13_HMBC_Night r25963ar - + - - - + + Ref BiCCuSPh-tBu Group Romanov_A HMBC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
43 03:43:05 20260605-1723-B400_B.11-43 13 H1_C13_HSQC_Night r25963ar - + - - - + + Ref BiCCuSPh-tBu Group Romanov_A HSQC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
43 03:29:39 20260605-1723-B400_B.11-43 12 H1_COSY_HiRes_Night r25963ar - + - - - + + Ref BiCCuSPh-tBu Group Romanov_A COSY mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
43 02:35:54 20260605-1723-B400_B.11-43 11 C13_CPD_Night1024 r25963ar - + - - - + + Ref BiCCuSPh-tBu Group Romanov_A 13C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 02:30:00 20260605-1723-B400_B.11-43 10 H1_Night r25963ar + + - + + + + Ref BiCCuSPh-tBu Group Romanov_A BiCCuSPh-tBu proton
40 02:25:14 20260605-1721-B400_B.11-40 10 H1_Day16 k48162ck + + - + + + + Ref QC-P2 Group Romanov_A
39 02:19:54 20260605-1721-B400_B.11-39 10 H1_Day16 k48162ck + + - + + + + Ref QC-P1 Group Romanov_A
38 02:14:11 20260605-1719-B400_B.11-38 10 H1_Day16 k48162ck + + - + + + + Ref dimer Group Romanov_A
42 01:58:50 20260605-1654-B400_B.11-42 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1695 Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 01:23:41 20260605-1654-B400_B.11-42 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1695 Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 01:21:28 20260605-1654-B400_B.11-42 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1695 Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 00:25:14 20260605-1654-B400_B.11-42 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1695 Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 00:10:58 20260605-2105-B400_B.11-2 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-692 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 00:05:23 20260605-2105-B400_B.11-2 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-692 Group Procter_D
41 23:52:40 20260605-1653-B400_B.11-41 15 H1_NOESY_Night mbdxkrn2 - + - - - + + Ref GDB-RN1693 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 23:39:12 20260605-1653-B400_B.11-41 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1693 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 23:23:50 20260605-1653-B400_B.11-41 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1693 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 22:48:41 20260605-1653-B400_B.11-41 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1693 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 22:46:23 20260605-1653-B400_B.11-41 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1693 Full Char - CDCl3 Group De bo_G
41 21:48:07 20260605-1653-B400_B.11-41 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1693 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 21:33:51 20260605-2105-B400_B.11-2 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-693 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 21:29:11 20260605-2105-B400_B.11-2 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-693 Group Procter_D
60 21:14:55 20260605-2016-B400_B.11-60 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-Na2I6-grind-decompose residue-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 21:01:06 20260605-2016-B400_B.11-60 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-Na2I6-grind-decompose residue-drops of THF Group Liddle_S
59 20:46:50 20260605-2014-B400_B.11-59 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD_Na2C4TMS-with precursor-dthf-added in Group Liddle_S
59 20:32:17 20260605-2014-B400_B.11-59 11 H1_Night128 b19299kh + + - + + + + Ref STL-XLD_Na2C4TMS-with precursor-dthf-added in Group Liddle_S
37 20:19:35 20260605-1633-B400_B.11-36 25 H1_NOESY_Night e02956op - + - - - + + Ref GDB-OP0505B-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 19:41:21 20260605-1633-B400_B.11-36 24 H1_C13_HMBC_Night e02956op + + - + + + + Ref GDB-OP0505B-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
29 19:37:47 20260605-1429-B400_B.11-29 11 H1_Day a53046hl + + - + + + + Ref ph-720-fuel Group Leigh_D
55 19:34:21 20260605-1916-B400_B.11-55 10 H1_Day a53046hl + + - + + + + Ref alf-169-fuel Group Leigh_D 05 june sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 19:31:09 20260605-1915-B400_B.11-54 10 H1_Day a53046hl + + - + + + + Ref alf-168-fuel Group Leigh_D 05 june
53 19:27:48 20260605-1915-B400_B.11-53 10 H1_Day a53046hl + + - + + + + Ref alf-167-fuel Group Leigh_D 05 june
37 19:12:25 20260605-1633-B400_B.11-36 23 H1_C13_HSQC_Night e02956op - + - - - + + Ref GDB-OP0505B-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 18:58:59 20260605-1633-B400_B.11-36 22 H1_COSY_HiRes_Night e02956op - + - - - + + Ref GDB-OP0505B-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 18:44:43 20260605-1633-B400_B.11-36 21 C13_CPD_Night256 e02956op - + - - - + + Ref GDB-OP0505B-FC_CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 18:39:02 20260605-1633-B400_B.11-36 20 H1_Night e02956op + + - + + + + Ref GDB-OP0505B-FC_CDCl3 Group De bo_G
36 18:26:18 20260605-1633-B400_B.11-36 15 H1_NOESY_Night e02956op - + - - - + + Ref GDB-OP0505A-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 17:51:08 20260605-1633-B400_B.11-36 14 H1_C13_HMBC_Night e02956op - + - - - + + Ref GDB-OP0505A-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 17:35:35 20260605-1633-B400_B.11-36 13 H1_C13_HSQC_Night e02956op - + - - - + + Ref GDB-OP0505A-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 17:18:35 20260605-1633-B400_B.11-36 12 H1_COSY_HiRes_Night e02956op + + - + + + + Ref GDB-OP0505A-FC_CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 17:14:09 20260605-1642-B400_B.11-39 11 H1_Night h32367lm + + - + + + + Ref LM_Single_Anh Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 17:09:24 20260605-1641-B400_B.11-38 11 H1_Night h32367lm + + - + + + + Ref LM_Double_Anh Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 17:04:44 20260605-1643-B400_B.11-40 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1170-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 17:00:18 20260605-1642-B400_B.11-39 10 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Anh Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 16:55:38 20260605-1641-B400_B.11-38 10 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Anh Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 16:41:21 20260605-1633-B400_B.11-36 11 C13_CPD_Night256 e02956op - + - - - + + Ref GDB-OP0505A-FC_CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 16:35:46 20260605-1633-B400_B.11-36 10 H1_Night e02956op + + - + + + + Ref GDB-OP0505A-FC_CDCl3 Group De bo_G
19 16:30:28 20260605-1630-B400_B.11-19 10 H1_Day a53046hl + + - + + + + Ref QBB-G52-repeat Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 16:15:18 20260605-1536-B400_B.11-36 11 H1_Day16 h32367lm + + - + + + + Ref LM_Double_Anh_prefuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 16:10:16 20260605-1536-B400_B.11-35 11 H1_Day16 h32367lm + + - + + + + Ref LM_Single_Anh-prefuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:54:52 20260605-1545-B400_B.11-9 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) residue Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:50:22 20260605-1000-B400_B.11-7 21 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-double-d3.5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 15:44:51 20260605-1000-B400_B.11-7 11 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-single-d3.5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 15:41:47 20260605-1536-B400_B.11-36 10 H1_Day16 h32367lm + + - x - - - Ref LM_Double_Anh_prefuel Group Leigh_D Lock failed after multiple attempts, lock: Command 'lock MeOD' failed. Lock is OFF, Command 'lock MeOD' failed. Lock is OFF
35 15:38:44 20260605-1536-B400_B.11-35 10 H1_Day16 h32367lm - - - - - - - Ref LM_Single_Anh-prefuel Group Leigh_D
34 15:21:42 20260605-1441-B400_B.11-34 11 C13_CPD_Night256 mbdxrlw2 + + - + + + + Ref lw020_na2Cb_Ph_aliquot Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 15:17:27 20260605-1507-B400_B.11-37 10 C13_CPD_Day p13528bg + + - + + + + Ref BG-027a) col tt34 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 15:14:56 20260605-1451-B400_B.11-36 2320401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2310401 Group Abbenseth_J SiRi232 SbCyNNNOtBu in DFB after 7h 365nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
35 15:11:54 20260605-1449-B400_B.11-35 2310401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2310401 Group Abbenseth_J SiRi231 SbCyNNNOtBu Iodotrifluorotoluene in Actonitrile after 7h 365nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
34 15:06:31 20260605-1441-B400_B.11-34 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw020_na2Cb_Ph_aliquot Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 15:04:36 20260605-1436-B400_B.11-33 11 C13_CPD_Day z61799af - + - - - + + Ref AF-AP2-OEt Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 15:01:31 20260605-1436-B400_B.11-33 10 H1_Day z61799af + + - + + + + Ref AF-AP2-OEt Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 14:59:25 20260605-1436-B400_B.11-32 11 C13_CPD_Day z61799af - + - - - + + Ref AF-AP1-OMe Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 14:55:58 20260605-1436-B400_B.11-32 10 H1_Day z61799af + + - + + + + Ref AF-AP1-OMe Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 14:51:14 20260605-1436-B400_B.11-31 10 H1_Day z61799af + + - + + + + Ref AF-370 Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 14:43:37 20260605-1436-B400_B.11-30 10 H1_Day z61799af + + - + + + + Ref AF-366 Group Green_A
29 14:40:05 20260605-1429-B400_B.11-29 10 H1_Day a53046hl + + - + + + + Ref ph-720-fuel Group Leigh_D
28 14:34:20 20260605-1427-B400_B.11-28 10 H1_Day16 k48162ck + + - + + + + Ref QC-02 Group Romanov_A
27 14:28:46 20260605-1427-B400_B.11-27 10 H1_Day16 k48162ck + + - + x + + Ref Ph-pincer-Au-acetylene-TMS Group Romanov_A topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
26 14:19:25 20260605-1411-B400_B.11-26 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) col tt 32 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:15:22 20260605-1411-B400_B.11-25 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) col tt 34 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:10:33 20260605-1409-B400_B.11-24 10 H1_Day16 f56027ch + + - + + + + Ref 20260604 2+1 disaln PDA Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 13:56:30 20260605-1351-B400_B.11-46 11 C13_CPD_Day c54994yc - + - - - + + Ref ny6 300 sc 13 C Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 13:52:40 20260605-1351-B400_B.11-46 10 H1_Day c54994yc + + - + + + + Ref ny6 300sc with 3met benzen 1h Group Yang_S
3 13:29:05 20260605-1314-B400_B.11-3 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 475 (crude) Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:15:40 20260605-1314-B400_B.11-2 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 445 (second attempt) Group Procter_D
5 12:59:11 20260605-1235-B400_B.11-5 10 H1_ExtraWide_Day a77256kr + + - + + + + Ref CAPG_KMRM_058 Group Goodwin_C Ce(III)L4
4 12:57:09 20260605-1230-B400_B.11-4 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_gialle Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260605-1230-B400_B.11-4/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260605-1230-B400_B.11-4/11/pdata/1/peaks!
4 12:52:08 20260605-1230-B400_B.11-4 10 H1_Day m52750pm + + - + + + + Ref MP71_gialle Group Crisenza_G
3 12:50:06 20260605-1230-B400_B.11-3 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_fr81-90 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260605-1230-B400_B.11-3/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260605-1230-B400_B.11-3/11/pdata/1/peaks!
3 12:45:24 20260605-1230-B400_B.11-3 10 H1_Day m52750pm + + - + + + + Ref MP71_fr81-90 Group Crisenza_G
2 12:43:18 20260605-1229-B400_B.11-2 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_fr4-20 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2 12:38:33 20260605-1229-B400_B.11-2 10 H1_Day m52750pm + + - + + + + Ref MP71_fr4-20 Group Crisenza_G
60 12:23:25 20260605-1202-B400_B.11-60 13 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD_Na2C4TMS-with precursor added in-neat C6D6 Group Liddle_S
60 12:11:50 20260605-1202-B400_B.11-60 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD_Na2C4TMS-with precursor added in-neat C6D6 Group Liddle_S
60 12:06:58 20260605-1202-B400_B.11-60 12 Si29_DEPT90_Day b19299kh - + - - - + + Ref STL-XLD_Na2C4TMS-with precursor added in-neat C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260605-1202-B400_B.11-60/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260605-1202-B400_B.11-60/12/pdata/1/peaks!
60 12:03:09 20260605-1202-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD_Na2C4TMS-with precursor added in-neat C6D6 Group Liddle_S
23 11:46:03 20260605-1131-B400_B.11-23 10 H1_Day z92209cg + + - + + + + Ref ALF169 fuelled 16h Group Leigh_D ALF169 fuelled 16h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 11:42:37 20260605-1130-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALF168 fuelled 16h Group Leigh_D ALF168 fuelled 16h
21 11:38:56 20260605-1129-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 31h Group Leigh_D ALF167 fuelled 31h
20 11:34:15 20260605-1052-B400_B.11-20 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1696 Column Fraction 4 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 11:28:24 20260605-1059-B400_B.11-18 11 H1_COSY_Day f09303eg - + - - - + + Ref EG77 bottom spot Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
18 11:23:54 20260605-1059-B400_B.11-18 10 H1_Day f09303eg + + - + + + + Ref EG77 bottom spot Group Webb_S
17 11:18:04 20260605-1058-B400_B.11-17 11 H1_COSY_Day f09303eg - + - - - + + Ref EG77 top spot Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
17 11:12:01 20260605-1058-B400_B.11-17 10 H1_Day f09303eg + + - + + + + Ref EG77 top spot Group Webb_S
16 11:07:53 20260605-1051-B400_B.11-16 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1696 Column Fraction 3 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 11:03:49 20260605-1051-B400_B.11-15 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1696 Column Fraction 2 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 10:59:20 20260605-1051-B400_B.11-14 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1696 Column Fraction 1 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 10:53:13 20260605-1045-B400_B.11-13 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-352 Group De bo_G
12 10:47:26 20260605-1045-B400_B.11-12 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-352-R1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 10:41:11 20260605-1040-B400_B.11-11 10 H1_Day x06125gb + + - + + + + Ref RK30 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 10:22:36 20260605-1006-B400_B.11-10 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1695 Column Fractions 56-64 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 10:17:51 20260605-1006-B400_B.11-9 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1695 Column Fractions 44-55 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:13:44 20260605-1000-B400_B.11-7 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-double-d3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 10:08:50 20260605-1000-B400_B.11-7 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-single-d3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:04:11 20260605-0951-B400_B.11-6 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) crude dried Group De bo_G
5 10:01:43 20260605-0947-B400_B.11-5 2280701 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2280701 Group Abbenseth_J SiRi228 SbCyNNN Iodotrifluorotoluene after light KBn added 450nm 1 night topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
4 09:59:08 20260605-0946-B400_B.11-4 2240901 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2240901 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB after 1 day 450nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
3 09:53:20 20260605-0944-B400_B.11-3 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH40.4 Group Mills_D 1 week 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260605-0944-B400_B.11-3/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260605-0944-B400_B.11-3/12/pdata/1/peaks!
3 09:48:58 20260605-0944-B400_B.11-3 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH40.4 Group Mills_D 1 week 60C
3 09:45:42 20260605-0944-B400_B.11-3 10 H1_Day g36620hh + + - + + + + Ref HH40.4 Group Mills_D 1 week 60C
2 09:30:29 20260605-0929-B400_B.11-2 10 H1_Day x06125gb + + - + + + + Ref RK30-PF2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:06:25 20260601-1034-B400_B.11-1 13 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
60 08:52:04 20260605-0835-B400_B.11-60 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-Na2I6-ground-decompose residue-neat C6D6 Group Liddle_S sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260605-0835-B400_B.11-60/12/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260605-0835-B400_B.11-60/12/pdata/1/peaks No peak is found in the specified ranges!
60 08:40:22 20260605-0835-B400_B.11-60 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-Na2I6-ground-decompose residue-neat C6D6 Group Liddle_S
60 08:36:25 20260605-0835-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-Na2I6-ground-decompose residue-neat C6D6 Group Liddle_S
20 06:39:42 20260605-0634-B400_B.11-20 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-447big2 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
20 06:35:17 20260605-0634-B400_B.11-20 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-447big2 Group Larrosa_I
13 02:50:32 20260604-2222-B400_B.11-13 11 H1_Day a53046hl + + - + + + + Ref ph-720-fuel Group Leigh_D
26 02:48:20 20260604-2036-B400_B.11-25 21 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-447big Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/d93111sd/nmr/20260604-2036-B400_B.11-25/21/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/d93111sd/nmr/20260604-2036-B400_B.11-25/21/pdata/1/peaks!
26 02:43:53 20260604-2036-B400_B.11-25 20 H1_Day16 d93111sd + + - + + + + Ref IL-SD-447big Group Larrosa_I
25 02:41:45 20260604-2036-B400_B.11-25 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-445-2d Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
25 02:37:31 20260604-2036-B400_B.11-25 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-445-2d Group Larrosa_I
24 01:42:53 20260604-1902-B400_B.11-24 11 C13_CPD_Night1024 v73981ac - + - - - + + Ref ILAC212A-final Group Larrosa_I
24 01:36:12 20260604-1902-B400_B.11-24 10 H1_Day16 v73981ac + + - + + + + Ref ILAC212A-final Group Larrosa_I
60 01:28:13 20260604-1841-B400_B.11-60 13 Si29_DEPT90_Day b19299kh + + - + + + + Ref STL-XLD-Na2C4TMS-with precursor-neat C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260604-1841-B400_B.11-60/13/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260604-1841-B400_B.11-60/13/pdata/1/peaks!
52 01:13:58 20260605-0044-B400_B.11-52 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-692 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 01:07:45 20260605-0044-B400_B.11-52 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-692 Group Procter_D
51 00:32:37 20260604-1715-B400_B.11-51 15 H1_C13_HMBC_Night y52364mw - + - - - + + Ref GDB-MJ-D2-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 23:38:49 20260604-1715-B400_B.11-51 14 C13_CPD_Night1024 y52364mw - + - - - + + Ref GDB-MJ-D2-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 23:20:03 20260604-1715-B400_B.11-51 13 H1_C13_HSQC_Night y52364mw + + - + + + + Ref GDB-MJ-D2-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 22:52:49 20260604-1656-B400_B.11-36 12 C13_DEPT135_Night m52750pm - + - - - + + Ref GCMA2-D-cr-DEPT Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 22:38:33 20260604-1656-B400_B.11-36 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GCMA2-D-cr-C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 22:32:40 20260604-1656-B400_B.11-36 10 H1_Night m52750pm + + - + + + + Ref GCMA2-D-cr-H Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 22:29:13 20260604-2222-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-720-fuel Group Leigh_D
5 21:57:48 20260604-1109-B400_B.11-5 11 C13_DEPT135_Night e14150oc + + - + + + + Ref oc_Ti7Ga_ThreadD(1) Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 21:52:45 20260604-1945-B400_B.11-50 10 H1_Night f56027ch + + - + + + + Ref 20260604 2+1 PDA Group Schroder_M
49 21:50:42 20260604-1926-B400_B.11-49 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_fil1-2 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1926-B400_B.11-49/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1926-B400_B.11-49/11/pdata/1/peaks!
49 21:46:01 20260604-1926-B400_B.11-49 10 H1_Day m52750pm + + - + + + + Ref MP71_fil1-2 Group Crisenza_G
48 21:43:57 20260604-1925-B400_B.11-48 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_fil3-4 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1925-B400_B.11-48/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1925-B400_B.11-48/11/pdata/1/peaks!
48 21:39:38 20260604-1925-B400_B.11-48 10 H1_Day m52750pm + + - + + + + Ref MP71_fil3-4 Group Crisenza_G
47 21:37:35 20260604-1924-B400_B.11-47 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_fil5 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1924-B400_B.11-47/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1924-B400_B.11-47/11/pdata/1/peaks!
47 21:32:50 20260604-1924-B400_B.11-47 10 H1_Day m52750pm + + - + + + + Ref MP71_fil5 Group Crisenza_G
42 21:30:48 20260604-1922-B400_B.11-42 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_fila6 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1922-B400_B.11-42/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1922-B400_B.11-42/11/pdata/1/peaks!
42 21:25:57 20260604-1922-B400_B.11-42 10 H1_Day m52750pm + + - + + + + Ref MP71_fila6 Group Crisenza_G
23 21:22:32 20260604-1821-B400_B.11-23 10 H1_Day z92209cg + + - + + + + Ref ALF169 fuelled 2h Group Leigh_D ALF169 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 21:19:21 20260604-1820-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALF168 fuelled 2h Group Leigh_D ALF168 fuelled 2h
21 21:13:19 20260604-1858-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref AL116 crude Group Leigh_D AL116 crude sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 21:01:37 20260604-1841-B400_B.11-60 12 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-Na2C4TMS-with precursor-neat C6D6 Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 20:47:15 20260604-1841-B400_B.11-60 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-Na2C4TMS-with precursor-neat C6D6 Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 20:41:39 20260604-1841-B400_B.11-60 10 H1_Night b19299kh + + - + + + + Ref STL-XLD-Na2C4TMS-with precursor-neat C6D6 Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 20:39:09 20260604-1708-B400_B.11-46 2320301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2320301 Group Abbenseth_J SiRi232 SbCyNNNOtBu DFB after 45min 365nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
45 20:35:54 20260604-1707-B400_B.11-45 2310301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2310301 Group Abbenseth_J SiRi231 SbCyNNNOtBu Iodotrifluorotoluene in Acetonitrile after 45 min 365nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
20 20:21:39 20260604-1749-B400_B.11-20 11 C13_CPD_Night256 g16660ml - + - - - + + Ref djp-muze-2-cl-produ ct Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 20:06:39 20260604-1749-B400_B.11-20 10 H1_Night128 g16660ml + + - + + + + Ref djp-muze-2-cl-produ ct Group Procter_D
13 20:03:05 20260604-1740-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-720-fuel Group Leigh_D
44 19:56:57 20260604-1706-B400_B.11-44 10 H1_Night w12998gm + + - + x + + Ref il-gm-10-smcheck-p-ome-phpy Group Larrosa_I topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 19:50:31 20260604-1706-B400_B.11-43 10 H1_Night w12998gm + + - + + + + Ref il-gm-10-066-iso Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 19:46:05 20260604-1704-B400_B.11-41 10 H1_Night h32367lm + + - + + + + Ref LMNMR-gel-double-night3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 19:40:54 20260604-1704-B400_B.11-40 10 H1_Night h32367lm + + - + + + + Ref LMNMR-gel-single-night3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 19:29:17 20260604-1701-B400_B.11-39 11 H1_Night128 h32367lm - + - - - + + Ref LM-brass-LDA-0C alk Group Leigh_D
39 19:12:58 20260604-1701-B400_B.11-39 10 C13_CPD_Night256 h32367lm + + - + + + + Ref LM-brass-LDA-0C alk Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 19:08:44 20260604-1626-B400_B.11-28 10 H1_Night m52750pm + + - + + + + Ref GCPM354cr Group Crisenza_G
35 19:04:31 20260604-1626-B400_B.11-35 10 H1_Night m52750pm + + - + + + + Ref GCPM350F5 Group Crisenza_G
34 18:59:06 20260604-1626-B400_B.11-34 10 H1_Night m52750pm + + - + + + + Ref GCPM350F4 Group Crisenza_G
33 18:52:40 20260604-1626-B400_B.11-33 10 H1_Night m52750pm + + - + + + + Ref GCPM350F3 Group Crisenza_G
32 18:47:54 20260604-1626-B400_B.11-32 10 H1_Night m52750pm + + - + + + + Ref GCPM350F2 Group Crisenza_G
31 18:42:49 20260604-1626-B400_B.11-31 10 H1_Night m52750pm + + - + + + + Ref GCPM350F1 Group Crisenza_G
30 18:38:34 20260604-1626-B400_B.11-30 10 H1_Night m52750pm + + - + + + + Ref GCPM354F4 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 18:34:16 20260604-1626-B400_B.11-29 10 H1_Night m52750pm + + - + + + + Ref GCPM354F3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 18:17:50 20260604-1359-B400_B.11-19 11 C13_CPD_Night256 mbdxrlw2 + + - + + + + Ref lw018_phcbcocp_plug Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 17:59:53 20260604-1353-B400_B.11-18 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1168-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 17:41:50 20260604-1352-B400_B.11-17 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1167-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 17:28:21 20260604-1715-B400_B.11-51 12 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-D2-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 17:25:26 20260604-1715-B400_B.11-51 10 H1_Night y52364mw - + - - - + + Ref GDB-MJ-D2-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 17:21:16 20260604-1715-B400_B.11-51 11 F19_NoCPD_Day y52364mw + + - + + + + Ref GDB-MJ-D2-FULL Group De bo_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
46 17:18:37 20260604-1708-B400_B.11-46 2320201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2320201 Group Abbenseth_J SiRi232 SbCyNNNOtBu DFB after 5min 365nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
45 17:15:56 20260604-1707-B400_B.11-45 2310201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2310201 Group Abbenseth_J SiRi231 SbCyNNNOtBu Iodotrifluorotoluene in Acetonitrile after 5 min 365nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
42 17:12:37 20260604-1703-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref QBB-G-recycled-F23-25 Group Leigh_D
38 17:07:33 20260604-1701-B400_B.11-38 10 H1_Day16 h32367lm + + - + + + + Ref LM-brass-LDA-40calk Group Leigh_D
37 17:02:15 20260604-1700-B400_B.11-37 10 H1_Day16 h32367lm + + - + + + + Ref LM-brass-LDA-30mindep Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 16:57:42 20260604-1542-B400_B.11-27 10 F19_NoCPD_Day x06125gb + + - + + + + Ref RK24 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26 16:52:46 20260604-1634-B400_B.11-26 12 C13_DEPT135_Day j65215tk - + - - - + + Ref TGK-1022-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 16:50:43 20260604-1634-B400_B.11-26 11 F19_NoCPD_Day j65215tk - + - - - + + Ref TGK-1022-1 Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26 16:46:00 20260604-1634-B400_B.11-26 10 H1_Day j65215tk + + - + + + + Ref TGK-1022-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 16:43:28 20260604-1624-B400_B.11-25 2320101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2320101 Group Abbenseth_J SiRi232 SbCyNNNOtBu in DFB before light topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
24 16:39:33 20260604-1623-B400_B.11-24 2310101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2310101 Group Abbenseth_J SiRi231 SbCyNNNOtBu Iodotrifluorotoluene in Acetonitrile before light log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
23 16:34:54 20260604-1610-B400_B.11-23 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-3TMSislated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 16:30:43 20260604-1608-B400_B.11-22 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) crude dilute Group De bo_G
21 16:26:23 20260604-1559-B400_B.11-21 10 H1_Day16 f56027ch + + - + + + + Ref 20260603 2+1 PDA filtrated Group Schroder_M
20 16:12:35 20260604-1551-B400_B.11-20 10 H1_Quant_D1_25s_Day g16660ml + + - + + + + Ref DJP FE 449 Group Procter_D
16 15:59:32 20260604-1551-B400_B.11-16 10 H1_Quant_D1_25s_Day g16660ml + + - + + + + Ref DJP FE 448 Group Procter_D
15 15:54:20 20260604-1550-B400_B.11-15 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
14 15:50:06 20260604-1350-B400_B.11-14 12 H1_Day m46745sw + + - + + + + Ref 56-P1 Group Natrajan_L
13 15:46:29 20260604-1529-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-720-fuel Group Leigh_D dmap-n-o and dic jun04 15:25
12 15:41:56 20260604-1514-B400_B.11-12 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) crude dilute Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:38:20 20260604-1510-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref alf-168-prefuel Group Leigh_D
10 15:33:34 20260604-1507-B400_B.11-10 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-second Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:28:07 20260604-1506-B400_B.11-9 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-first Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:26:13 20260604-1505-B400_B.11-8 11 F19_NoCPD_Day y52364mw - + - - - + + Ref GDB-MJ-D2-P1-F Group De bo_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
8 15:21:20 20260604-1505-B400_B.11-8 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-P1-F Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 15:04:27 20260604-1252-B400_B.11-6 22 C13_CPD_Night256 p10102hz + + - + + + + Ref zhb-a-155g Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 15:00:27 20260604-1451-B400_B.11-26 2300201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2300201 Group Abbenseth_J SiRi230 SbCyNNNBn iodotrifluorotluene THF after 45 min 365nm (yellow with red precipitant) topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
25 14:57:10 20260604-1449-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref ph-720 Group Leigh_D
24 14:55:45 20260604-1441-B400_B.11-24 3120133 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-12 Group Abbenseth_J JA-SiS-III-12 P(NNN) NH3 - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:52:07 20260604-1441-B400_B.11-24 3120132 P31_NoCPD_Day w05220ss + + - + + + + Ref JA-SiS-III-12 Group Abbenseth_J JA-SiS-III-12 P(NNN) NH3 - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 14:48:04 20260604-1437-B400_B.11-22 20 H1_Day16 p13528bg + + - + + + + Ref BG-023f) DMSO-pure Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 14:43:39 20260604-1437-B400_B.11-22 10 H1_Day16 p13528bg + + - + + + + Ref BG-027a) crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 14:38:38 20260604-1429-B400_B.11-21 10 H1_Day x06125gb + + - + + + + Ref RK30-PF Group Crisenza_G
20 14:33:54 20260604-1410-B400_B.11-20 10 H1_Day16 f56027ch + + - + + + + Ref 20260603 2+1 PDA Group Schroder_M
19 14:29:21 20260604-1359-B400_B.11-19 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw018_phcbcocp_plug Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 14:24:51 20260604-1353-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1168-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 14:20:27 20260604-1352-B400_B.11-17 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1167-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 14:18:31 20260604-1351-B400_B.11-15 21 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-155y Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 14:13:07 20260604-1351-B400_B.11-15 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155y Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 14:10:39 20260604-1351-B400_B.11-15 11 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-155t Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 14:05:54 20260604-1351-B400_B.11-15 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155t Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 14:03:57 20260604-1350-B400_B.11-14 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_strip_dmsod6 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1350-B400_B.11-14/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260604-1350-B400_B.11-14/11/pdata/1/peaks!
14 14:00:34 20260604-1350-B400_B.11-14 10 H1_Day m52750pm + + - + + + + Ref MP71_strip_dmsod6 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 13:58:31 20260604-1349-B400_B.11-13 11 F19_NoCPD_Day m52750pm - + - - - + + Ref MP71_strip_cdcl3 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
13 13:53:58 20260604-1349-B400_B.11-13 10 H1_Day m52750pm + + - + x + + Ref MP71_strip_cdcl3 Group Crisenza_G topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
12 13:49:56 20260604-1349-B400_B.11-12 10 H1_Day m52750pm + + - + + + + Ref MP76+TBAF Group Crisenza_G
11 13:43:55 20260604-1259-B400_B.11-11 2300101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2300101 Group Abbenseth_J SiRi230 SbCyNNNBn Iodotrifluorotoluene THF before light topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
23 13:39:04 20260604-1301-B400_B.11-23 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_38_2_acol Group Leigh_D
14 13:33:03 20260604-1332-B400_B.11-14 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-P1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 13:30:39 20260604-1311-B400_B.11-13 3120131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-12 Group Abbenseth_J JA-SiS-III-12 P(NNN) NH3 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 13:26:19 20260604-1311-B400_B.11-13 3120101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-12 Group Abbenseth_J JA-SiS-III-12 P(NNN) NH3 - 1H
12 13:24:19 20260604-1309-B400_B.11-12 11 C13_CPD_Day h32367lm - + - - - + + Ref Brass-LDA-t0 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 13:18:22 20260604-1309-B400_B.11-12 10 H1_Day16 h32367lm + + - + + + + Ref Brass-LDA-t0 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:14:59 20260604-1259-B400_B.11-11 2300101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2300101 Group Abbenseth_J SiRi230 SbCyNNNBn Iodotrifluorotoluene THF before light topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
10 13:12:30 20260604-1257-B400_B.11-10 2280301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-220301 Group Abbenseth_J SiRi228 SbCyNNN Iodotriflurotoluene DFb after light, KBn added 450nm 2h topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
9 13:09:06 20260604-1256-B400_B.11-9 2270501 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2270501 Group Abbenseth_J SiRi227 SbCyNNN OtBu Iodotrifluorotoluene THF after 2h 450nm log_err: acqt0 not set in pulse program, result may be incorrect!
8 13:06:12 20260604-1253-B400_B.11-8 2240901 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2240901 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB 10mg after 8h 450nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
7 13:04:16 20260604-1252-B400_B.11-6 21 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-155g Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 13:00:07 20260604-1252-B400_B.11-6 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155g Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 12:58:11 20260604-1252-B400_B.11-6 11 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-155e Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 12:52:52 20260604-1252-B400_B.11-6 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155e Group Procter_D
3 12:30:20 20260604-1223-B400_B.11-3 10 H1_Day16 z92209cg + + - + + + + Ref SX1-6-quenched-1H Group Leigh_D
2 12:25:10 20260604-1222-B400_B.11-2 10 H1_Day16 z92209cg + + - + + + + Ref SX1-12-c1f2-1H Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 12:18:15 20260604-1211-B400_B.11-23 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_38_2_acol Group Leigh_D
22 12:16:17 20260604-1210-B400_B.11-22 11 C13_CPD_Day h32367lm - + - - - + + Ref ethylene brassylate Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 12:10:56 20260604-1210-B400_B.11-22 10 H1_Day16 h32367lm + + - + + + + Ref ethylene brassylate Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 12:07:11 20260604-1206-B400_B.11-21 10 H1_Day a53046hl + + - + + + + Ref QBB-G86-conc Group Leigh_D
4 12:00:08 20260604-1103-B400_B.11-4 10 H1_Day z86427mk + + - + + + + Ref MK-333-B Impure Group Procter_D
12 11:56:52 20260604-1139-B400_B.11-12 10 H1_Day j40457bh + + - + + + + Ref bh se 64 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 11:52:10 20260604-1139-B400_B.11-11 10 H1_Day j40457bh + + - + + + + Ref bh se 63 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 11:48:22 20260604-1139-B400_B.11-10 10 H1_Day j40457bh + + - + + + + Ref bh se 61 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 11:44:52 20260604-1137-B400_B.11-9 10 H1_Day a53046hl + + - + + + + Ref QBB-G77-repeat Group Leigh_D
8 11:39:57 20260604-1133-B400_B.11-8 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-3tmsacidrepeat Group Procter_D
7 11:35:27 20260604-1125-B400_B.11-7 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-231 crude Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 11:30:27 20260604-1125-B400_B.11-6 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-229 F90-110 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 11:24:04 20260604-1109-B400_B.11-5 10 H1_Day e14150oc + + - + + + + Ref oc_Ti7Ga_ThreadD(1) Group Winpenny_R
5 11:10:32 20260604-1109-B400_B.11-5 10 H1_Day e14150oc x - - - - - - Ref oc_Ti7Ga_ThreadD(1) Group Winpenny_R WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
4 11:08:10 20260604-1103-B400_B.11-4 10 H1_Day z86427mk - - - - - - - Ref MK-333-B Impure Group Procter_D
3 11:05:46 20260604-1059-B400_B.11-3 11 C13_CPD_Day h32367lm - + - - - + + Ref LDA-brass Group Leigh_D sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Leigh_D/data/h32367lm/nmr/20260604-1059-B400_B.11-3/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Leigh_D/data/h32367lm/nmr/20260604-1059-B400_B.11-3/11/pdata/1/peaks No peak is found in the specified ranges!
3 11:00:16 20260604-1059-B400_B.11-3 10 H1_Day16 h32367lm + + - + + + + Ref LDA-brass Group Leigh_D
2 10:55:51 20260604-1054-B400_B.11-2 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-129-B Group Greaney_M
6 10:39:45 20260604-1031-B400_B.11-6 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1693 Column Bottom Band - CDCl3 Group De bo_G
5 10:36:20 20260604-1029-B400_B.11-5 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 20h Group Leigh_D ALF167 fuelled 20h
4 10:32:55 20260604-1029-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF166 fuelled 20h Group Leigh_D ALF166 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:29:02 20260604-1027-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF164 fuelled 40h Group Leigh_D ALF164 fuelled 40h
59 10:19:18 20260603-1434-B400_B.11-58 50 H1_Day16 h32367lm + + - + + + + Ref LMNMR-Gel-double-d2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 10:14:06 20260603-1434-B400_B.11-58 40 H1_Day16 h32367lm + + - + + + + Ref LMNMR-Gel-single-d2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:20:02 20260604-0916-B400_B.11-2 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-C6D6 Group Mills_D C6D6 04/06/26 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:04:18 20260601-1034-B400_B.11-1 12 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/12/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/12/pdata/1/peaks No peak is found in the specified ranges!
21 08:58:19 20260604-0857-B400_B.11-21 10 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1693 Column Top Band - CDCl3 Group De bo_G
60 20:17:37 20260603-2002-B400_B.11-60 10 H1_Day z92209cg + + - + + + + Ref GCK_002-pure Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 20:13:58 20260603-1753-B400_B.11-6 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-C6D6 Group Mills_D C6D6 03/06/26 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 20:10:37 20260603-1731-B400_B.11-3 10 H1_Day e02956op + + - + + + + Ref GDB-OP0508-1H_MeCNd3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 20:06:32 20260603-1730-B400_B.11-2 10 H1_Day e02956op + + - + + + + Ref GDB-OP0511-1H_CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 20:03:32 20260603-1704-B400_B.11-56 20 H1_Day w81028jj - - - - - - - Ref JQJ122.1 Group Webb_S
59 19:58:45 20260603-1434-B400_B.11-58 22 H1_Wide_Day h32367lm + + - + + + + Ref LMNMR-Gel-Double-d1.7 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 19:56:37 20260603-1435-B400_B.11-60 22 H1_Night z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D
60 19:37:17 20260603-1435-B400_B.11-60 21 H1_P31_HMBC_Night z89001ep + + - + + + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 19:33:50 20260603-1911-B400_B.11-5 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 5h Group Leigh_D ALF167 fuelled 5h
4 19:30:14 20260603-1911-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF164 fuelled 25h Group Leigh_D ALF164 fuelled 25h
58 19:25:54 20260603-1847-B400_B.11-58 10 H1_Night z16689fe + + - + + + + Ref DJP FE 474 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 18:46:52 20260603-1402-B400_B.11-55 15 H1_C13_HMBC_Night j88755sb + + - + + + + Ref capg-sb047-D-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 18:41:20 20260603-1827-B400_B.11-24 10 H1_Night w12998gm + + - + + + + Ref il-gm-10-4-I-benzoic Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 18:33:53 20260603-1827-B400_B.11-23 10 H1_Night w12998gm + + - + + + + Ref il-gm-10-ketonephpy Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 18:30:39 20260602-1727-B400_B.11-22 2270301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2270301 Group Abbenseth_J SiRi227 SbCyNNNOtBu Iodotrifluorotoluene in THF after 30 min 360nm, 30min 450nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 18:28:11 20260603-1757-B400_B.11-8 2280101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2280101 Group Abbenseth_J SiRi228 SbCyNNN Iodotrifluorotoluene DFB 595nm (from SiRi1-69) KBn topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
7 18:25:20 20260603-1754-B400_B.11-7 2240801 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2240801 Group Abbenseth_J SiRi224 SbCyNN Iodotrifluorotoluene DFB after 6h 450nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
20 18:21:02 20260603-1752-B400_B.11-20 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-826-(d) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 18:16:49 20260603-1751-B400_B.11-19 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-826-(c) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 18:12:38 20260603-1751-B400_B.11-18 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-826-(b) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 18:07:16 20260603-1751-B400_B.11-17 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-826-(a) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 18:01:24 20260603-1744-B400_B.11-4 20 H1_Night p13528bg + + - + + + + Ref BG-023f) column 2nd fraction Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 17:55:42 20260603-1744-B400_B.11-4 10 H1_Night p13528bg + + - + + + + Ref BG-023f) column beaker Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 17:39:26 20260603-1731-B400_B.11-3 11 C13_CPD_Night256 e02956op + + - + + + + Ref GDB-OP0508-13C_MeCNd3 Group De bo_G
58 17:34:52 20260603-1434-B400_B.11-58 12 H1_Night h32367lm + + - + + + + Ref LMNMR-Gel-Single-night2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 17:32:39 20260603-1434-B400_B.11-58 23 H1_Night h32367lm - + - - - + + Ref LMNMR-Gel-Double-night2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 17:28:09 20260603-1434-B400_B.11-58 21 H1_Day16 h32367lm + + - + + + + Ref LMNMR-Gel-Double-d1.5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 17:23:01 20260603-1434-B400_B.11-58 11 H1_Day16 h32367lm + + - + + + + Ref LMNMR-Gel-Single-d1.5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 17:04:36 20260603-1704-B400_B.11-56 10 H1_Day w81028jj + + - x - - - Ref JQJ122.1 Group Webb_S Lock failed after multiple attempts, lock: Command 'lock CD3CN' failed. Lock is OFF, Command 'lock CD3CN' failed. Lock is OFF
28 16:53:35 20260603-1632-B400_B.11-28 10 H1_Day16 z92209cg + + - + + + + Ref SX1-11-c1f2-1H Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 16:48:13 20260603-1632-B400_B.11-27 10 H1_Day16 z92209cg + + - + + + + Ref SX1-11-c1f1-1H Group Leigh_D
26 16:44:49 20260603-1630-B400_B.11-26 10 H1_Day m52750pm + + - + + + + Ref GC_MP76+is Group Crisenza_G
25 16:40:56 20260603-1629-B400_B.11-25 10 H1_Day m52750pm + + - + + + + Ref GC_MP75+is Group Crisenza_G
24 16:35:16 20260603-1627-B400_B.11-24 10 H1_Day a53046hl + + - + + + + Ref AT-79-48 Group Leigh_D
23 16:30:46 20260603-1627-B400_B.11-23 10 H1_Day a53046hl + + - + + + + Ref SFF52_2_03-06 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 16:26:56 20260602-1727-B400_B.11-22 2270201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2270201 Group Abbenseth_J SiRi227 SbCyNNNOtBu Iodotrifluorotoluene in THF after 30 min 360nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
55 16:06:49 20260603-1402-B400_B.11-55 14 H1_C13_HSQC_Night j88755sb - + - - - + + Ref capg-sb047-D-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 15:53:16 20260603-1402-B400_B.11-55 13 H1_COSY_HiRes_Night j88755sb - + - - - + + Ref capg-sb047-D-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 15:35:49 20260603-1402-B400_B.11-55 12 C13_CPD_Night256 j88755sb + + - + + + + Ref capg-sb047-D-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 15:33:07 20260602-1728-B400_B.11-23 2240701 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II2240701 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB 10mg after 1h 550nm and 5h 450nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
22 15:29:22 20260602-1727-B400_B.11-22 2270101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2270101 Group Abbenseth_J SiRi227 SbCyNNNOtBu Iodotrifluorotoluene in THF before light log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
4 15:26:00 20260603-1500-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 30 min Group Leigh_D ALF167 fuelled 30 min
3 15:22:23 20260603-1459-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF166 fuelled 30min Group Leigh_D ALF166 fuelled 30min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:17:42 20260603-1442-B400_B.11-2 10130101 H1_Day16 w05220ss + + - + + + + Ref CD-I-13 Group Abbenseth_J CD-I-13 H2NON + BiCl3 filtered wash hex sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 15:16:17 20260603-1435-B400_B.11-60 20 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 15:14:33 20260603-1435-B400_B.11-60 19 P31_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 15:13:06 20260603-1435-B400_B.11-60 18 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 15:10:07 20260603-1435-B400_B.11-60 17 P31_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 15:08:49 20260603-1435-B400_B.11-60 16 B11_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260603-1435-B400_B.11-60/16/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260603-1435-B400_B.11-60/16/pdata/1/peaks!
60 15:06:22 20260603-1435-B400_B.11-60 15 B11_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260603-1435-B400_B.11-60/15/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260603-1435-B400_B.11-60/15/pdata/1/peaks!
60 15:02:01 20260603-1435-B400_B.11-60 14 C13_DEPT135_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:59:33 20260603-1435-B400_B.11-60 13 C13_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:57:06 20260603-1435-B400_B.11-60 12 H1_P31CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D
60 14:54:49 20260603-1435-B400_B.11-60 11 H1_B11CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D
60 14:50:05 20260603-1435-B400_B.11-60 10 H1_Day16 z89001ep + + - + + + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP_V3 Group Mills_D
59 14:45:35 20260603-1434-B400_B.11-58 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-Gel-Double-d1.5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 14:40:20 20260603-1434-B400_B.11-58 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-Gel-Single-d1.5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:37:10 20260603-1403-B400_B.11-57 10 H1_Day z92209cg + + - + + + + Ref ALF167 fuelled 5 min Group Leigh_D ALF167 fuelled 5 min
56 14:33:37 20260603-1430-B400_B.11-56 10 H1_Day z92209cg + + - + + + + Ref ALF166 fuelled 5 min Group Leigh_D ALF166 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 14:28:43 20260603-1402-B400_B.11-55 11 H1_Night j88755sb + + - + + + + Ref capg-sb047-D-A Group Goodwin_C
60 14:25:15 20260603-1419-B400_B.11-60 10 H1_Day z92209cg + + - + + + + Ref ALF164 fuelled 19h30 Group Leigh_D ALF164 fuelled 19h30
59 14:21:26 20260603-1418-B400_B.11-59 10 H1_Day z92209cg + + - + + + + Ref ALP3PtCl2 new batch prod Group Leigh_D ALP3PtCl2 new batch prod DMSO sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 14:15:39 20260603-1403-B400_B.11-58 10 H1_Day z92209cg + + - + + + + Ref ALF167 prefuel Group Leigh_D ALF167 prefuel
57 14:12:20 20260603-1403-B400_B.11-57 10 H1_Day z92209cg + + - + + + + Ref ALF166 prefuel Group Leigh_D ALF166 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 14:08:08 20260603-1402-B400_B.11-56 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb047-D-B Group Goodwin_C
55 14:02:23 20260603-1402-B400_B.11-55 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb047-D-A Group Goodwin_C
23 13:41:28 20260602-1728-B400_B.11-23 2240601 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II2240601 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB 10mg after 1h 550nm and 3.5h 450nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
40 13:22:20 20260603-1321-B400_B.11-40 10 H1_Day z61799af + + - + + + + Ref AF-366 Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 13:13:23 20260603-1311-B400_B.11-37 10 F19_NoCPD_Day x06125gb + + - + + + + Ref RK24-P2 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
30 12:43:00 20260603-1242-B400_B.11-30 10 F19_NoCPD_Day f09303eg + + - + + + + Ref 12:30 Group Webb_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260603-1242-B400_B.11-30/10/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260603-1242-B400_B.11-30/10/pdata/1/peaks!
30 12:35:04 20260603-1217-B400_B.11-30 11 H1_Day f09303eg - + - - - + + Ref EG76 f19 studies Group Webb_S
30 12:29:25 20260603-1217-B400_B.11-30 10 F19_NoCPD_Day f09303eg + + - + + + + Ref EG76 f19 studies Group Webb_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260603-1217-B400_B.11-30/10/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260603-1217-B400_B.11-30/10/pdata/1/peaks!
23 12:26:36 20260602-1728-B400_B.11-23 2240501 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II2240501 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB 10mg after 1h 550nm and 2.5h 450nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
13 12:22:07 20260603-1212-B400_B.11-12 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-double-d1.1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 12:16:37 20260603-1212-B400_B.11-12 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-single-d1.1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 12:12:11 20260603-1211-B400_B.11-11 10 H1_Day16 h32367lm + + - + + + + Ref LM-030626-ethylfuelwet Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 11:56:20 20260603-1147-B400_B.11-36 11 C13_CPD_Night256 mbdxrlw2 - + - - - + + Ref lw018_phCbCoCp_solid Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 11:51:36 20260603-1147-B400_B.11-36 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw018_phCbCoCp_solid Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 11:47:12 20260603-1146-B400_B.11-35 10 H1_Day16 f56027ch + + - + + + + Ref 20260602 deprotected Group Schroder_M
35 11:35:00 20260603-1134-B400_B.11-35 10 H1_Day16 z92209cg + + - + + + + Ref SX1-11-quenched-1H Group Leigh_D
33 11:20:18 20260603-1115-B400_B.11-32 20 H1_Day x06125gb + + - + + + + Ref RK30-C Group Crisenza_G
32 11:16:55 20260603-1115-B400_B.11-32 10 H1_Day x06125gb + + - + + + + Ref RK29-C Group Crisenza_G
27 10:56:36 20260603-1034-B400_B.11-27 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1165-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 10:53:07 20260603-1041-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref ALF164 fuelled 16h Group Leigh_D ALF164 fuelled 16h
28 10:47:58 20260603-1040-B400_B.11-28 10 H1_Day16 p13528bg + + - + + + + Ref BG-023f) 16h crude Group De bo_G
27 10:42:25 20260603-1034-B400_B.11-27 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1165-ch Group Procter_D
26 10:37:58 20260603-1032-B400_B.11-25 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-double-1d Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 10:32:51 20260603-1032-B400_B.11-25 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-single-1d Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 10:27:33 20260603-1023-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF164 PH715 fuelled 15h Group Leigh_D ALF164 PH715 fuelled 15h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 10:25:03 20260602-1728-B400_B.11-23 2240401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II2240401 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB 10mg after 1h 550nm and 1h 450nm after night topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
22 10:21:22 20260602-1727-B400_B.11-22 2230401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2230401 Group Abbenseth_J SiRi223 SbCyNNN Iodotrifluorotoluene in THF 10mg after 1h 550nm and 1h 450nm after night log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
34 10:05:16 20260603-1004-B400_B.11-34 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1692 Column Main Band - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 09:50:20 20260603-0949-B400_B.11-31 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1692 Column Main Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260601-1034-B400_B.11-1 11 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260601-1034-B400_B.11-1/11/pdata/1/peaks No peak is found in the specified ranges!
39 06:18:57 20260602-1857-B400_B.11-39 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-691 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 05:44:06 20260602-1857-B400_B.11-39 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-691 Group Procter_D
39 05:28:52 20260602-1857-B400_B.11-39 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-691 Group Procter_D
39 05:21:26 20260602-1857-B400_B.11-39 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-691 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 05:13:07 20260602-2309-B400_B.11-7 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-686-main spot Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 05:09:47 20260602-1730-B400_B.11-24 10 H1_Day x06125gb + + - + + + + Ref RK24-P2 Group Crisenza_G
21 05:05:42 20260602-1707-B400_B.11-21 10 H1_Day z61799af + + - + + + + Ref AF-24DMBA Group Green_A
19 05:03:47 20260602-1643-B400_B.11-19 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-43-9-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 04:58:26 20260602-1643-B400_B.11-19 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-9-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 04:23:17 20260602-1640-B400_B.11-12 14 H1_C13_HMBC_Night y52364mw - + - - - + + Ref GDB-MJ-349-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 04:09:45 20260602-1640-B400_B.11-12 13 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-349-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 03:54:23 20260602-1640-B400_B.11-12 12 H1_C13_HSQC_Night y52364mw - + - - - + + Ref GDB-MJ-349-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 03:00:37 20260602-1640-B400_B.11-12 11 C13_CPD_Night1024 y52364mw - + - - - + + Ref GDB-MJ-349-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 02:55:43 20260602-1640-B400_B.11-12 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-349-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 02:01:58 20260602-1627-B400_B.11-8 11 C13_CPD_Night1024 g16660ml - + - - - + + Ref djp-muze-die-alk Group Procter_D
8 01:47:21 20260602-1627-B400_B.11-8 10 H1_Night128 g16660ml + + - + + + + Ref djp-muze-die-alk Group Procter_D
5 00:55:52 20260602-0923-B400_B.11-5 13 H1_NOESY_US_Night h68355ac + + - + + + + Ref djp-oc-1133-nosey Group Procter_D
6 00:40:39 20260602-0936-B400_B.11-6 13 H1_C13_HSQC_US_Night h68355ac - + - - - + + Ref djp-oc-1064-c-b Group Procter_D
6 00:01:50 20260602-0936-B400_B.11-6 12 H1_C13_HMBC_US_Night h68355ac + + - + + + + Ref djp-oc-1064-c-b Group Procter_D
7 23:47:34 20260602-2309-B400_B.11-7 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-686-main spot Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 23:41:10 20260602-2309-B400_B.11-7 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-686-main spot Group Procter_D
6 22:44:15 20260602-0936-B400_B.11-6 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref djp-oc-1064-c-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 22:29:43 20260602-1857-B400_B.11-39 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-691 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 22:23:44 20260602-1857-B400_B.11-39 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-691 Group Procter_D
15 22:19:39 20260602-1819-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALF164 PH715 fuelled 3h30 Group Leigh_D ALF164 PH715 fuelled 3h30
54 22:05:57 20260602-1812-B400_B.11-54 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=90min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 21:52:18 20260602-1812-B400_B.11-53 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=90min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 21:38:36 20260602-1811-B400_B.11-52 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=60min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 21:25:01 20260602-1811-B400_B.11-51 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=60min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 21:11:37 20260602-1810-B400_B.11-50 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=45min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 20:58:04 20260602-1810-B400_B.11-49 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=45min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 20:44:35 20260602-1809-B400_B.11-48 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=30min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 20:31:01 20260602-1809-B400_B.11-47 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=30min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 20:17:30 20260602-1808-B400_B.11-46 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=15min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 20:03:56 20260602-1807-B400_B.11-45 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=15min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 19:50:17 20260602-1807-B400_B.11-44 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=10min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 19:36:42 20260602-1806-B400_B.11-43 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=10min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 19:22:51 20260602-1805-B400_B.11-42 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=5min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 19:08:17 20260602-1804-B400_B.11-41 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=5min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 18:52:20 20260602-1750-B400_B.11-38 10 H1_Night128 f11141tm + + - + + + + Ref Si-C not purified Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 18:45:49 20260602-1744-B400_B.11-2 10 H1_Night m52750pm + + - + + + + Ref GC-MA2 Group Crisenza_G
14 18:31:59 20260602-1649-B400_B.11-13 21 H1_Night128 h32367lm + + - + + + + Ref LMNMR-gel-double-night Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 18:17:02 20260602-1649-B400_B.11-13 11 H1_Night128 h32367lm + + - + + + + Ref LMNMR-gel-single-night Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 18:14:34 20260602-1728-B400_B.11-23 2240301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II2240301 Group Abbenseth_J SiRi224 SbCyNNN Iodotrifluorotoluene in DFB 10mg after 1h 550nm and 1h 450nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
22 18:11:11 20260602-1727-B400_B.11-22 2230301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2230301 Group Abbenseth_J SiRi223 SbCyNNN Iodotrifluorotoluene in THF 10mg after 1h 550nm and 1h 450nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
20 18:07:41 20260602-1652-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF164 PH715 fuelled 3h Group Leigh_D ALF164 PH715 fuelled 3h
4 17:50:31 20260602-1014-B400_B.11-4 11 H1_NOESY_Night h68355ac + + - + + + + Ref djp-oc-1158-nosey Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
60 17:33:12 20260602-0947-B400_B.11-60 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-Br2-I2-DME precipitate-drop of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 17:31:12 20260602-1643-B400_B.11-18 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-43-9-1 Group Procter_D sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Procter_D/data/u67812sg/nmr/20260602-1643-B400_B.11-18/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Procter_D/data/u67812sg/nmr/20260602-1643-B400_B.11-18/11/pdata/1/peaks No peak is found in the specified ranges!
18 17:26:43 20260602-1643-B400_B.11-18 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-9-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 17:22:20 20260602-1638-B400_B.11-15 30 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155y Group Procter_D
16 17:17:36 20260602-1638-B400_B.11-15 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155x Group Procter_D
15 17:12:41 20260602-1638-B400_B.11-15 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155w-1 Group Procter_D
14 17:08:21 20260602-1649-B400_B.11-13 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-double-t7 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 17:03:20 20260602-1649-B400_B.11-13 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-single-t7 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 16:58:36 20260602-1637-B400_B.11-9 30 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155w Group Procter_D
10 16:52:48 20260602-1637-B400_B.11-9 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155v Group Procter_D
9 16:47:13 20260602-1637-B400_B.11-9 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155s-1 Group Procter_D
54 16:33:38 20260602-1224-B400_B.11-54 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=15 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 16:30:14 20260602-1623-B400_B.11-10 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-29 check Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 16:16:04 20260602-1223-B400_B.11-53 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=15 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 16:10:30 20260602-1554-B400_B.11-25 10 H1_Day z61799af + + - + + + + Ref AF-364 Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 16:07:03 20260602-1549-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF164 PH715 fuelled 1h15 Group Leigh_D ALF164 PH715 fuelled 1h15
23 16:04:34 20260602-1108-B400_B.11-23 2240201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2240201 Group Abbenseth_J SiRi224 SbCyNNN iodotrifluorotoluene in DFB 10mg after 1h direct 550nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
22 16:00:30 20260602-1107-B400_B.11-22 2230201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2230201 Group Abbenseth_J SiRi223 SbCyNNN Iodotrifluorotoluene THF 10mg after 1h direct 550nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
13 15:43:56 20260602-1509-B400_B.11-13 11 C13_CPD_Night256 mbdxrlw2 + + - + + + + Ref lw018_phCbCoCp Group Mills_D
14 15:40:44 20260602-1518-B400_B.11-14 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1165-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 15:36:03 20260602-1509-B400_B.11-13 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw018_phCbCoCp Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 15:22:15 20260602-1500-B400_B.11-12 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:17:26 20260602-1457-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF165 fuelled 15 min Group Leigh_D ALF165 fuelled 15 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:13:47 20260602-1455-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF164 PH715 fuelled 15 min Group Leigh_D ALF164 PH715 fuelled 15 min
9 15:09:19 20260602-1252-B400_B.11-39 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-t5-double Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:03:43 20260602-1251-B400_B.11-37 31 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-t5-single Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:59:47 20260602-1445-B400_B.11-52 10 F19_NoCPD_Day w52164bc + + - + + + + Ref BC-11-229 Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
51 14:55:19 20260602-1406-B400_B.11-51 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-70B Group Trowbridge_A
50 14:41:13 20260602-1310-B400_B.11-50 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=10min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 14:37:40 20260602-1405-B400_B.11-49 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-64 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 14:32:58 20260602-1334-B400_B.11-48 10 H1_Day z92209cg + + - + + + + Ref ALF165 prefuel Group Leigh_D ALF165 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 14:29:10 20260602-1333-B400_B.11-47 10 H1_Day z92209cg + + - + + + + Ref ALF164 - PH719 prefuel Group Leigh_D ALF164 - PH719 prefuel
46 14:15:03 20260602-1309-B400_B.11-46 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=10min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 14:10:33 20260602-1308-B400_B.11-45 10 H1_Day m19368jb + + - + + + + Ref AK-JB68-GPC3-P Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 14:05:13 20260602-1308-B400_B.11-44 10 H1_Day m19368jb + + - + + + + Ref AK-JB66C Group Keerthi_A
43 14:02:49 20260602-1305-B400_B.11-43 11 P31_NoCPD_Day m69065je - + - - - + + Ref JEK680_plg2 Group Mills_D JEK680_plg2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 13:58:23 20260602-1305-B400_B.11-43 10 H1_Day16 m69065je + + - + + + + Ref JEK680_plg2 Group Mills_D JEK680_plg2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 13:56:08 20260602-1304-B400_B.11-42 12 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-142-OMeLig Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260602-1304-B400_B.11-42/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260602-1304-B400_B.11-42/12/pdata/1/peaks!
42 13:53:12 20260602-1304-B400_B.11-42 11 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-142-OMeLig Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0
42 13:48:42 20260602-1304-B400_B.11-42 10 H1_Day j20588jh + + - + + + + Ref HK-DW-142-OMeLig Group Natrajan_L
41 13:44:08 20260602-1217-B400_B.11-41 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb047-crude Group Goodwin_C
40 13:41:53 20260602-1302-B400_B.11-40 12 B11_NoCPD_Day j20588jh - + - - - + + Ref HK-DW-141-H-ligand Group Natrajan_L log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260602-1302-B400_B.11-40/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Natrajan_L/data/j20588jh/nmr/20260602-1302-B400_B.11-40/12/pdata/1/peaks!
40 13:39:28 20260602-1302-B400_B.11-40 11 P31_Wide_Day j20588jh - + - - - + + Ref HK-DW-141-H-ligand Group Natrajan_L sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0
40 13:34:36 20260602-1302-B400_B.11-40 10 H1_Day j20588jh + + - + + + + Ref HK-DW-141-H-ligand Group Natrajan_L
39 13:29:24 20260602-1252-B400_B.11-39 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-t2-double Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 13:15:22 20260602-1158-B400_B.11-38 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-2 t=5min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 13:10:07 20260602-1251-B400_B.11-37 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-t2-single Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 13:06:44 20260602-1226-B400_B.11-36 10 H1_Day a53046hl + + - + + + + Ref ph-711-fuel Group Leigh_D
35 13:04:49 20260602-1201-B400_B.11-35 12 C13_CPD_Day j45159ks - + - - - + + Ref anh-anh alkyne Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 13:02:35 20260602-1201-B400_B.11-35 11 H1_Day16 j45159ks - + - - - + + Ref anh-anh alkyne Group Keerthi_A
35 12:58:01 20260602-1201-B400_B.11-35 10 H1_Day j45159ks + + - + + + + Ref anh-anh alkyne Group Keerthi_A
34 12:43:54 20260602-1157-B400_B.11-34 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN TNG-340 Son-1 t=5min - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 12:39:48 20260602-1132-B400_B.11-33 10 H1_Day j53590ed + + - + + + + Ref ED1-103_crude Group Greaney_M
32 12:36:10 20260602-1131-B400_B.11-32 10 H1_Day z16689fe + + - + + + + Ref DJP FE 458 Group Procter_D
31 12:32:20 20260602-1126-B400_B.11-31 10 H1_Day a53046hl + + - + x + + Ref QBB-G50-repeat-filt Group Leigh_D topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 12:27:50 20260602-1122-B400_B.11-30 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-03-070cr Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 12:25:05 20260602-1121-B400_B.11-28 21 C13_CPD_Day b26045ab - + - - - + + Ref AT-ABO-03-072 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 12:20:52 20260602-1121-B400_B.11-28 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-072 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 12:14:22 20260602-1121-B400_B.11-28 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-071 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 12:10:05 20260602-1120-B400_B.11-27 10 H1_Day j40457bh + + - + + + + Ref bh se 59 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 12:06:22 20260602-1120-B400_B.11-26 10 H1_Day j40457bh + + - + + + + Ref bh se 58 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 12:02:16 20260602-1120-B400_B.11-25 10 H1_Day j40457bh + + - + + + + Ref bh se 56 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 11:57:20 20260602-1119-B400_B.11-24 10 H1_Day a53046hl + + - + + + + Ref DC-ThiopheneCAT-AC-CV-14-15 Group Leigh_D
23 11:54:48 20260602-1108-B400_B.11-23 2240101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2240101 Group Abbenseth_J SiRi224 SbCyNNN iodotrifluorotoluene in DFB 10mg before light topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
22 11:51:10 20260602-1107-B400_B.11-22 2230101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2230101 Group Abbenseth_J SiRi223 SbCyNNN Iodotrifluorotoluene THF 10mg before light log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
21 11:49:16 20260602-1102-B400_B.11-21 11 F19_NoCPD_Day w52164bc - + - - - + + Ref BC-11-228 t = 24 h Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
21 11:45:53 20260602-1102-B400_B.11-21 10 H1_Day w52164bc + + - + + + + Ref BC-11-228 t = 24 h Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 11:40:58 20260602-1101-B400_B.11-20 10 H1_Day a53046hl + + - + + + + Ref SFF42_02-06 Group Leigh_D
19 11:35:30 20260602-1101-B400_B.11-19 10 H1_Day a53046hl + + - + + + + Ref SFF50_02-06 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 11:33:03 20260602-1100-B400_B.11-18 11 B11_CPD_Day a53046hl - + - - - + + Ref JaS_BM_11_col_3 Group Leigh_D sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Leigh_D/data/a53046hl/nmr/20260602-1100-B400_B.11-18/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Leigh_D/data/a53046hl/nmr/20260602-1100-B400_B.11-18/11/pdata/1/peaks!
18 11:28:03 20260602-1100-B400_B.11-18 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_11_col_3 Group Leigh_D
17 11:24:46 20260602-1057-B400_B.11-17 10 H1_Day a53046hl + + - + + + + Ref QBB-G84-16hrs Group Leigh_D
16 11:22:39 20260602-1054-B400_B.11-16 11 F19_NoCPD_Day j40457bh - + - - - + + Ref bh se 53 c1s2 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
16 11:18:06 20260602-1054-B400_B.11-16 10 H1_Day j40457bh + + - + + + + Ref bh se 53 c1s2 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 11:13:43 20260602-1048-B400_B.11-15 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-double-t0 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 11:08:27 20260602-1047-B400_B.11-14 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-single-t0 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 11:05:48 20260602-1036-B400_B.11-13 12 C13_CPD_Day f09303eg - + - - - + + Ref EG75 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 10:59:57 20260602-1036-B400_B.11-13 11 H1_COSY_Day f09303eg - + - - - + + Ref EG75 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
13 10:56:14 20260602-1036-B400_B.11-13 10 H1_Day f09303eg + + - + + + + Ref EG75 Group Webb_S
12 10:51:12 20260602-1027-B400_B.11-12 10 H1_Day u67812sg + + - + + + + Ref sq-2-46-4-o.n. Group Procter_D
11 10:45:25 20260602-1027-B400_B.11-11 10 H1_Day u67812sg + + - + + + + Ref sq-2-46-3-o.n. Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 10:40:07 20260602-1027-B400_B.11-10 10 H1_Day u67812sg + + - + + + + Ref sq-2-46-1-o.n. Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 10:36:10 20260602-1025-B400_B.11-9 10 H1_Day j53590ed + + - + + + + Ref ED1-105C_crude Group Greaney_M
8 10:31:38 20260602-1025-B400_B.11-8 10 H1_Day j53590ed + + - + + + + Ref ED1-105B_crude Group Greaney_M
7 10:27:25 20260602-1025-B400_B.11-7 10 H1_Day j53590ed + + - + + + + Ref ED1-105A_crue Group Greaney_M
4 10:20:03 20260602-1014-B400_B.11-4 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1158-nosey Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:16:59 20260602-1004-B400_B.11-2 20 H1_Day h32367lm + + - + + + + Ref LMNMR-gel-oneq-double Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:12:54 20260602-1004-B400_B.11-2 10 H1_Day h32367lm + + - + + + + Ref LMNMR-gel-oneq-single Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 10:01:18 20260602-0947-B400_B.11-60 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-Br2-I2-DME precipitate-drop of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 09:55:42 20260602-0947-B400_B.11-60 13 Si29_DEPT90_Day b19299kh - + - - - + + Ref STL-XLD-Br2-I2-DME precipitate-drop of THF Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260602-0947-B400_B.11-60/13/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260602-0947-B400_B.11-60/13/pdata/1/peaks!
60 09:51:34 20260602-0947-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-Br2-I2-DME precipitate-drop of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 09:48:16 20260602-0945-B400_B.11-7 10 H1_Day a53046hl + + - + + + + Ref ph-719 Group Leigh_D
6 09:43:18 20260602-0936-B400_B.11-6 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1064-c-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:30:31 20260602-0923-B400_B.11-5 12 H1_NOESY_Night h68355ac - + - - - + + Ref djp-oc-1133-nosey Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 09:25:14 20260602-0923-B400_B.11-5 11 H1_Night h68355ac + + - + + + + Ref djp-oc-1133-nosey Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:22:13 20260602-0918-B400_B.11-4 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-SPL check Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:18:55 20260602-0918-B400_B.11-3 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-SPC check Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260601-1034-B400_B.11-1 10 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 08:40:48 20260602-0835-B400_B.11-11 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-48G Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 08:39:19 20260601-1626-B400_B.11-9 11 H1_Day x73847lm - + - - - + + Ref IR-LJM-02-49 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 08:35:21 20260601-1626-B400_B.11-9 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-49 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 08:21:24 20260602-0820-B400_B.11-2 10120301 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-12 Group Abbenseth_J JA-CD-I-12 H2NON + Bi(NMe3)
40 01:17:01 20260602-0026-B400_B.11-38 32 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-686-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 01:10:42 20260602-0026-B400_B.11-38 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-691-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 00:56:26 20260602-0026-B400_B.11-38 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-686-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 00:52:00 20260602-0026-B400_B.11-38 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-686-cr Group Procter_D
39 00:37:44 20260602-0026-B400_B.11-38 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-691-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 00:33:17 20260602-0026-B400_B.11-38 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-691-cr Group Procter_D
37 00:06:03 20260601-2210-B400_B.11-37 16 C13_DEPT135_Night w61916tz - + - - - + + Ref sy-tz-3-2060530a-dept135 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 23:38:43 20260601-2210-B400_B.11-37 15 C13_DEPT90_Night w61916tz - + - - - + + Ref sy-tz-3-2060530a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 23:03:34 20260601-2210-B400_B.11-37 14 H1_C13_HMBC_Night w61916tz - + - - - + + Ref sy-tz-3-2060530a-hmbc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 22:48:13 20260601-2210-B400_B.11-37 13 H1_C13_HSQC_Night w61916tz - + - - - + + Ref sy-tz-3-2060530a-hsqc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 22:34:44 20260601-2210-B400_B.11-37 12 H1_COSY_HiRes_Night w61916tz - + - - - + + Ref sy-tz-3-2060530a-cosy Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 22:17:46 20260601-2210-B400_B.11-37 11 C13_CPD_Night256 w61916tz + + - + + + + Ref sy-tz-3-2060530a-cpd Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 22:10:45 20260601-2210-B400_B.11-37 10 H1_Night w61916tz + + - + + + + Ref sy-tz-3-2060530a-1h Group Yang_S
19 22:01:29 20260601-2144-B400_B.11-19 10 H1_Night f56027ch + + - + + + + Ref 20260528 br py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 21:56:53 20260601-2144-B400_B.11-18 10 H1_Night f56027ch + + - + + + + Ref 20260529 br Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 21:42:44 20260601-2048-B400_B.11-17 10 H1_Night128 m09677nb + + - + + + + Ref 4+2 Group Greaney_M
16 20:49:00 20260601-1702-B400_B.11-16 11 C13_CPD_Night1024 h68355ac - + - - - + + Ref djp-oc-1064-c Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 20:43:03 20260601-1702-B400_B.11-16 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1064-c Group Procter_D
15 20:05:55 20260601-1657-B400_B.11-15 14 H1_C13_HMBC_Night j88755sb + + - + + + + Ref capg-sb042-02-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
26 19:40:51 20260601-0806-B400_B.11-26 15 P31_NoCPD_Night mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S213-La Group Goodwin_C ccapg619 C6D6:d8-THF (9:1) Full Characterisation sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 19:12:37 20260601-0806-B400_B.11-26 14 P31_CPD_Night mbdxkbr5 + + - + + + + Ref BLLR-CAPG-S213-La Group Goodwin_C ccapg619 C6D6:d8-THF (9:1) Full Characterisation sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 19:08:51 20260601-1821-B400_B.11-36 10 H1_Day a53046hl + + - + + + + Ref ph-717 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 19:06:48 20260601-1818-B400_B.11-35 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr71-80 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
35 19:02:07 20260601-1818-B400_B.11-35 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr71-80 Group Crisenza_G
34 19:00:03 20260601-1817-B400_B.11-34 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr61-70 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
34 18:55:15 20260601-1817-B400_B.11-34 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr61-70 Group Crisenza_G
33 18:53:11 20260601-1816-B400_B.11-33 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr51-60 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
33 18:48:30 20260601-1816-B400_B.11-33 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr51-60 Group Crisenza_G
32 18:46:28 20260601-1815-B400_B.11-32 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr41-50 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
32 18:41:37 20260601-1815-B400_B.11-32 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr41-50 Group Crisenza_G
31 18:39:34 20260601-1815-B400_B.11-31 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr31-40 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
31 18:33:54 20260601-1815-B400_B.11-31 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr31-40 Group Crisenza_G
30 18:31:52 20260601-1813-B400_B.11-30 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr21-30 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260601-1813-B400_B.11-30/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260601-1813-B400_B.11-30/11/pdata/1/peaks!
30 18:27:10 20260601-1813-B400_B.11-30 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr21-30 Group Crisenza_G
29 18:25:07 20260601-1811-B400_B.11-29 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr16-19 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260601-1811-B400_B.11-29/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260601-1811-B400_B.11-29/11/pdata/1/peaks!
29 18:20:42 20260601-1811-B400_B.11-29 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr16-19 Group Crisenza_G
28 18:18:33 20260601-1810-B400_B.11-28 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr7-9 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260601-1810-B400_B.11-28/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260601-1810-B400_B.11-28/11/pdata/1/peaks!
28 18:14:01 20260601-1810-B400_B.11-28 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr7-9 Group Crisenza_G
27 18:08:26 20260601-1752-B400_B.11-27 10 H1_Night p13528bg + + - + + + + Ref BG-015b) post precip Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 17:50:59 20260601-1657-B400_B.11-15 13 H1_C13_HSQC_Night j88755sb + + - + + + + Ref capg-sb042-02-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
19 17:47:20 20260601-1729-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref AL115 prod fr 16-22 Group Leigh_D AL115 prod fr 16-22
18 17:43:51 20260601-1716-B400_B.11-18 10 H1_Day a53046hl + + - + + + + Ref QBB-G81-48hrs Group Leigh_D
17 17:40:03 20260601-1714-B400_B.11-17 10 H1_Day a53046hl + + - + + + + Ref ph-715-dep Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 17:24:21 20260601-1657-B400_B.11-15 12 H1_COSY_HiRes_Night j88755sb + + - + + + + Ref capg-sb042-02-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
19 17:19:37 20260601-1717-B400_B.11-19 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_38_col_2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 17:05:15 20260601-1657-B400_B.11-15 11 C13_CPD_Night256 j88755sb - + - - - + + Ref capg-sb042-02-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 17:00:42 20260601-1657-B400_B.11-15 10 H1_Night j88755sb + + - + + + + Ref capg-sb042-02-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 16:57:56 20260601-1656-B400_B.11-14 666 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-666 Group Abbenseth_J SiRi666 test Iodotrifluorotoluene and trifluorotoluene in DFB topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
13 16:53:08 20260601-1649-B400_B.11-13 1070501 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-07 Group Abbenseth_J JA-CD-I-07 H2NON sec recry after WE C6D6 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 16:47:15 20260601-1646-B400_B.11-12 10 H1_Day16 a53046hl + + - + + + + Ref JaS_BM_11_col_2 Group Leigh_D
11 16:43:01 20260601-1630-B400_B.11-11 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-48G Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 16:38:58 20260601-1626-B400_B.11-9 20 H1_Day x06125gb + + - + + + + Ref RK28-P2-A7-A9 Group Crisenza_G
9 16:34:14 20260601-1626-B400_B.11-9 10 H1_Day x06125gb + + - + + + + Ref RK28-PF Group Crisenza_G
8 16:29:18 20260601-1613-B400_B.11-8 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
7 16:23:40 20260601-1613-B400_B.11-7 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
6 16:19:02 20260601-1612-B400_B.11-6 10 H1_Day16 f56027ch + + - + + + + Ref 20260531 Cu disalen one side Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 16:14:57 20260601-1610-B400_B.11-5 10 H1_Day u67812sg + + - + + + + Ref sq-2-46-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 16:11:11 20260601-1610-B400_B.11-4 10 H1_Day u67812sg + + - + + + + Ref sq-2-46-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 16:05:21 20260601-1603-B400_B.11-3 10120201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-12 Group Abbenseth_J JA-CD-I-12 H2NON + Bi(NMe2)3 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:50:58 20260601-1550-B400_B.11-2 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-69C Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 15:34:04 20260601-1531-B400_B.11-27 10120101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-12 Group Abbenseth_J JA-CD-I-12 H2NON + Bi(NMe2)3 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 15:24:52 20260601-1518-B400_B.11-22 20 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-Single-equil-t3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 15:19:31 20260601-1518-B400_B.11-22 10 H1_Day16 h32367lm + + - + + + + Ref LMNMR-gel-Double-equil-t0 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 15:04:51 20260601-1312-B400_B.11-21 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD_tol filtraate-I+K2CbTMS-neat C6D6 Group Liddle_S
21 14:50:31 20260601-1312-B400_B.11-21 11 H1_Night128 b19299kh + + - + + + + Ref STL-XLD_tol filtraate-I+K2CbTMS-neat C6D6 Group Liddle_S
30 14:45:02 20260601-1439-B400_B.11-30 10 H1_Day16 a53046hl + + - + + + + Ref JaS_BM_11_F2_stay Group Leigh_D
29 14:39:14 20260601-1433-B400_B.11-29 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1691 Column Main Band - CDCl3 Group De bo_G
28 14:37:48 20260601-1409-B400_B.11-28 13 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2_EP_V2 Group Mills_D sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0
28 14:36:14 20260601-1409-B400_B.11-28 12 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2_EP_V2 Group Mills_D sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0
28 14:30:21 20260601-1409-B400_B.11-28 10 H1_Day16 z89001ep + + - + + + + Ref Y(BIPP-Ph)(BH4)2_EP_V2 Group Mills_D
27 14:28:27 20260601-1408-B400_B.11-27 11 P31_NoCPD_Day m69065je - + - - - + + Ref JEK681_plg Group Mills_D JEK681_plg sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 14:24:03 20260601-1408-B400_B.11-27 10 H1_Day16 m69065je + + - + + + + Ref JEK681_plg Group Mills_D JEK681_plg
25 14:18:13 20260601-1351-B400_B.11-25 11 H1_COSY_Day f09303eg - + - - - + + Ref EG73 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 14:14:10 20260601-1351-B400_B.11-25 10 H1_Day f09303eg + + - + + + + Ref EG73 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:08:46 20260601-1349-B400_B.11-23 20 H1_Day16 a74776dr + + - + + + + Ref DJP-DR-2-689-polar part Group Procter_D
23 14:03:32 20260601-1349-B400_B.11-23 10 H1_Day16 a74776dr + + - + + + + Ref DJP-DR-2-689-1+2+3-after column re Group Procter_D
20 13:45:09 20260601-1310-B400_B.11-20 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-I2+Na2CbTMS-DME precipitate-C6D6 drops of DtHF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 13:40:46 20260601-1337-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALPH115 crude Group Leigh_D ALPH115 crude sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 13:25:21 20260601-1310-B400_B.11-20 11 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2+Na2CbTMS-DME precipitate-C6D6 drops of DtHF Group Liddle_S
21 13:20:30 20260601-1312-B400_B.11-21 13 Si29_DEPT90_Day b19299kh - + - - - + + Ref STL-XLD_tol filtraate-I+K2CbTMS-neat C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260601-1312-B400_B.11-21/13/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260601-1312-B400_B.11-21/13/pdata/1/peaks!
21 13:16:36 20260601-1312-B400_B.11-21 10 H1_Day b19299kh + + - + + + + Ref STL-XLD_tol filtraate-I+K2CbTMS-neat C6D6 Group Liddle_S
20 13:11:40 20260601-1310-B400_B.11-20 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2+Na2CbTMS-DME precipitate-C6D6 drops of DtHF Group Liddle_S
3 12:54:33 20260601-1216-B400_B.11-2 20 H1_Day x06125gb + + - + + + + Ref RK28-P2-A9-B1 Group Crisenza_G
2 12:49:19 20260601-1216-B400_B.11-2 10 H1_Day x06125gb + + - + + + + Ref RK28-P2-A5-A6 Group Crisenza_G
31 12:45:19 20260601-1244-B400_B.11-31 10 H1_Day a53046hl + + - + + + + Ref QBB-G82-2nd_attempt-mecn-1hr Group Leigh_D
6 10:07:37 20260601-0951-B400_B.11-6 1070401 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-07 Group Abbenseth_J JA-CD-I-07 H2NON sec recry check after weekend Automation was stopped by user
5 10:04:23 20260601-0949-B400_B.11-5 10 H1_Day m52750pm - - - - - - - Ref MA2-es Group Crisenza_G
4 09:58:47 20260601-0946-B400_B.11-4 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH40.3 Group Mills_D ow60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260601-0946-B400_B.11-4/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260601-0946-B400_B.11-4/12/pdata/1/peaks!
4 09:53:43 20260601-0946-B400_B.11-4 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH40.3 Group Mills_D ow60C
4 09:50:40 20260601-0946-B400_B.11-4 10 H1_Day g36620hh + + - + + + + Ref HH40.3 Group Mills_D ow60C
3 09:46:55 20260601-0944-B400_B.11-3 2160401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2160401 Group Abbenseth_J SiRi216 SbCyNNN Iodotrifluorotoluene in THF after weekend 450nm (orange) log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
2 09:44:08 20260601-0942-B400_B.11-2 2150401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2150401 Group Abbenseth_J SiRi215 SbCyNNN IodobenzeneCF3 in DFB after weekend 450nm (orange) topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
52 09:23:20 20260601-0922-B400_B.11-52 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_11_aweekend Group Leigh_D
51 09:10:06 20260601-0909-B400_B.11-51 10 H1_Day a53046hl + + - + + + + Ref QBB-G82-15hrs Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 08:30:55 20260601-0806-B400_B.11-26 13 P31_Wide_Day mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S213-La Group Goodwin_C ccapg619 C6D6:d8-THF (9:1) Full Characterisation sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 08:14:25 20260601-0806-B400_B.11-26 12 H1_P31_HMBC_Night mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S213-La Group Goodwin_C ccapg619 C6D6:d8-THF (9:1) Full Characterisation mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
26 08:12:58 20260601-0806-B400_B.11-26 11 P31_NoCPD_Day mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S213-La Group Goodwin_C ccapg619 C6D6:d8-THF (9:1) Full Characterisation sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 08:07:54 20260601-0806-B400_B.11-26 10 P31_CPD_Day mbdxkbr5 + + - + + + + Ref BLLR-CAPG-S213-La Group Goodwin_C ccapg619 C6D6:d8-THF (9:1) Full Characterisation sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 03:31:33 20260601-0112-B400_B.11-15 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-689-1+2+3 after column Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
15 02:56:42 20260601-0112-B400_B.11-15 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-689-1+2+3 after column Group Procter_D
15 02:41:26 20260601-0112-B400_B.11-15 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-689-1+2+3 after column Group Procter_D
15 02:39:12 20260601-0112-B400_B.11-15 12 H1_Night a74776dr - + - - - + + Ref DJP-DR-2-689-1+2+3 after column Group Procter_D
15 02:11:57 20260601-0112-B400_B.11-15 11 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-2-689-1+2+3 after column Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 01:14:47 20260601-0112-B400_B.11-15 10 C13_CPD_Night1024 a74776dr + + - + + + + Ref DJP-DR-2-689-1+2+3 after column Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 20:16:19 20260531-1927-B400_B.11-14 11 H1_Night128 m09677nb + + - + + + + Ref 487i Group Greaney_M
16 19:58:52 20260531-1927-B400_B.11-14 30 H1_Night128 m09677nb + + - + + + + Ref 487iii Group Greaney_M
15 19:44:25 20260531-1927-B400_B.11-14 20 H1_Night128 m09677nb + + - + + + + Ref 487ii Group Greaney_M
14 19:29:30 20260531-1927-B400_B.11-14 10 H1_Night128 m09677nb + + - + + + + Ref 487i Group Greaney_M
38 19:08:01 20260531-1900-B400_B.11-38 10 H1_Day z92209cg + + - + + + + Ref PH715 Crude Group Leigh_D PH715 Crude sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 19:02:51 20260531-1900-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALFPK 15g new b prod Group Leigh_D ALFPK 15g new b prod sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 18:40:59 20260531-1825-B400_B.11-36 10 H1_Night f56027ch + + - + + + + Ref 20260530 OPD no acid solid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:47:13 20260531-1742-B400_B.11-34 11 C13_CPD_Night1024 e72206ov - + - - - + + Ref ov-012-e, H and C with more mass Group De bo_G
34 17:42:49 20260531-1742-B400_B.11-34 10 H1_Night e72206ov + + - + + + + Ref ov-012-e, H and C with more mass Group De bo_G
19 17:06:15 20260531-1705-B400_B.11-19 10 H1_Day16 f56027ch + + - + + + + Ref 20260530 disalen OPD no acid solid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 16:25:14 20260531-1618-B400_B.11-18 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-4-cl Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 16:19:34 20260531-1618-B400_B.11-18 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-4-cl Group Procter_D
35 16:04:48 20260530-1839-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref AL111 new batch EtPPtCl2 prod Group Leigh_D AL111 new batch EtPPtCl2 prod sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 23:38:48 20260530-1839-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF163 fuelled 5h Group Leigh_D ALF163 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 22:54:16 20260530-2209-B400_B.11-46 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-685-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 22:36:44 20260530-2209-B400_B.11-46 11 C13_CPD_Night256 a74776dr + + - + + + + Ref DJP-DR-2-687-3-re Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 22:22:29 20260530-2209-B400_B.11-46 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-685-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 22:18:01 20260530-2209-B400_B.11-46 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-685-3 Group Procter_D
46 22:11:58 20260530-2209-B400_B.11-46 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-687-3-re Group Procter_D
45 22:05:44 20260530-2200-B400_B.11-45 10 H1_Night f56027ch + + - + + + + Ref 20260530 disalen OPD no acid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 22:01:34 20260530-2200-B400_B.11-44 10 H1_Night f56027ch + + - + + + + Ref 20260530 disalen OPD no acid PF6 Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 21:53:21 20260530-1839-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF163 fuelled 3h30 Group Leigh_D ALF163 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 21:08:59 20260530-1839-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF163 fuelled 2h45 Group Leigh_D ALF163 fuelled 2h45 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 20:19:23 20260530-1707-B400_B.11-34 14 H1_C13_HMBC_Night e72206ov + + - + + + + Ref ov-012-e, full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
35 20:15:44 20260530-1839-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF163 fuelled 2h Group Leigh_D ALF163 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 19:58:04 20260530-1707-B400_B.11-34 13 H1_C13_HSQC_Night e72206ov + + - + + + + Ref ov-012-e, full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 19:53:19 20260530-1946-B400_B.11-36 10 H1_Night f56027ch + + - + + + + Ref 20260530 disalen OPD no acid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 19:37:27 20260530-1707-B400_B.11-34 12 H1_COSY_HiRes_Night e72206ov + + - + + + + Ref ov-012-e, full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
35 19:33:47 20260530-1839-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF163 fuelled 1h Group Leigh_D ALF163 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 18:40:01 20260530-1707-B400_B.11-34 11 C13_CPD_Night1024 e72206ov - + - - - + + Ref ov-012-e, full Group De bo_G
34 18:35:29 20260530-1707-B400_B.11-34 10 H1_Night e72206ov + + - + + + + Ref ov-012-e, full Group De bo_G
31 18:34:54 20260530-1533-B400_B.11-30 22 C13_DEPT135_Day a74776dr - - - - - - - Ref DJP-DR-2-687-1 Group Procter_D
42 18:31:00 20260530-1522-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref dc-crystal-t12 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 18:27:21 20260530-1522-B400_B.11-41 10 H1_Day a53046hl + + - + + + + Ref dc-AC8-ac-cv-FF Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 18:22:51 20260530-1521-B400_B.11-40 10 H1_Day a53046hl + + - + + + + Ref dc-AC8-ac-cv-30-35 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 18:17:42 20260530-1520-B400_B.11-39 10 H1_Day a53046hl + + - + + + + Ref dc-AC8-ac-cv-22-26 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 18:13:52 20260530-1743-B400_B.11-30 10 H1_Day z92209cg + + - + + + + Ref ALF163 prefuel Group Leigh_D ALF163 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 17:58:31 20260530-1432-B400_B.11-29 14 H1_C13_HSQC_Night z88883sp - + - - - + + Ref SP367d Group Romanov_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
29 17:56:17 20260530-1432-B400_B.11-29 13 H1_Night z88883sp - + - - - + + Ref SP367d Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 17:25:51 20260530-1432-B400_B.11-29 12 C13_DEPT135_Night z88883sp + + - + + + + Ref SP367d Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 17:17:51 20260530-1533-B400_B.11-30 32 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-687-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 17:13:27 20260530-1627-B400_B.11-33 10 H1_Day z92209cg - - - - - - - Ref ALF163 prefuel Group Leigh_D ALF163 prefuel
32 16:59:10 20260530-1533-B400_B.11-30 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-687-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 16:53:24 20260530-1533-B400_B.11-30 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-687-2 Group Procter_D
31 16:39:09 20260530-1533-B400_B.11-30 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-687-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 16:33:40 20260530-1533-B400_B.11-30 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-687-1 Group Procter_D
30 16:19:24 20260530-1533-B400_B.11-30 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-687-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 16:13:43 20260530-1533-B400_B.11-30 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-687-3 Group Procter_D
29 15:19:58 20260530-1432-B400_B.11-29 11 C13_CPD_Night1024 z88883sp - + - - - + + Ref SP367d Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 15:16:12 20260530-1432-B400_B.11-29 10 H1_Day z88883sp + + - + + + + Ref SP367d Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 14:22:26 20260530-1406-B400_B.11-27 11 C13_CPD_Night1024 b26045ab - + - - - + + Ref AT-ABO-03-067 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 14:07:51 20260530-1406-B400_B.11-27 10 H1_Night128 b26045ab + + - + + + + Ref AT-ABO-03-067 Group Trowbridge_A
25 03:27:38 20260529-2211-B400_B.11-25 17 H1_NOESY_Night r25963ar - + - - - + + Ref NDMA sublimed Group Romanov_A NDMA sublimed mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 02:52:28 20260529-2211-B400_B.11-25 14 H1_C13_HMBC_Night r25963ar - + - - - + + Ref NDMA sublimed Group Romanov_A NDMA sublimed mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 02:34:45 20260529-2211-B400_B.11-25 13 H1_C13_HSQC_Night r25963ar + + - + + + + Ref NDMA sublimed Group Romanov_A NDMA sublimed mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
26 02:20:27 20260530-0211-B400_B.11-26 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-687 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 02:14:11 20260530-0211-B400_B.11-26 10 H1_Night a74776dr + + - + x + + Ref DJP-DR-2-687 Group Procter_D topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
25 02:00:43 20260529-2211-B400_B.11-25 12 H1_COSY_HiRes_Night r25963ar - + - - - + + Ref NDMA sublimed Group Romanov_A NDMA sublimed mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 01:46:27 20260529-2211-B400_B.11-25 11 C13_CPD_Night256 r25963ar - + - - - + + Ref NDMA sublimed Group Romanov_A NDMA sublimed sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 01:41:57 20260529-2211-B400_B.11-25 10 H1_Night r25963ar + + - + + + + Ref NDMA sublimed Group Romanov_A NDMA sublimed sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 01:06:48 20260529-2039-B400_B.11-33 14 H1_C13_HMBC_Night z40973rs - + - - - + + Ref gdb-rs-250 spot 1 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 00:51:27 20260529-2039-B400_B.11-33 13 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-250 spot 1 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 00:37:58 20260529-2039-B400_B.11-33 12 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-250 spot 1 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 00:23:43 20260529-2039-B400_B.11-33 11 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-250 spot 1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 00:10:13 20260529-2039-B400_B.11-33 10 H1_Night128 z40973rs + + - + + + + Ref gdb-rs-250 spot 1 Group De bo_G
32 23:35:03 20260529-2039-B400_B.11-32 14 H1_C13_HMBC_Night z40973rs - + - - - + + Ref gdb-rs-250 spot-2 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
32 23:17:19 20260529-2039-B400_B.11-32 13 H1_C13_HSQC_Night z40973rs + + - + + + + Ref gdb-rs-250 spot-2 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
34 23:02:56 20260529-2301-B400_B.11-34 10 H1_Night128 m09677nb + + - + + + + Ref without workup Group Greaney_M
32 22:49:20 20260529-2039-B400_B.11-32 12 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-250 spot-2 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
32 22:34:26 20260529-2039-B400_B.11-32 11 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-250 spot-2 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 22:29:58 20260529-2039-B400_B.11-32 10 H1_Night z40973rs + + - + + + + Ref gdb-rs-250 spot-2 Group De bo_G
23 22:14:49 20260529-2151-B400_B.11-23 10 H1_Night128 m09677nb + + - + + + + Ref crude Group Greaney_M
22 21:48:40 20260529-1802-B400_B.11-22 3110331 P31_Wide_Night w05220ss - + - - - + + Ref JA-SiS-III-11 Group Abbenseth_J JA-SiS-III-11 P(NNN) work up after fuck up - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 21:44:12 20260529-1802-B400_B.11-22 3110301 H1_Night w05220ss + + - + + + + Ref JA-SiS-III-11 Group Abbenseth_J JA-SiS-III-11 P(NNN) work up after fuck up - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 20:50:26 20260529-1722-B400_B.11-19 11 C13_CPD_Night1024 b26045ab - + - - - + + Ref AT-ABO-03-034-P1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 20:44:12 20260529-1722-B400_B.11-19 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-034-P1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 20:40:03 20260529-1949-B400_B.11-31 10 H1_Night f56027ch + + - + + + + Ref 20260529 Zn disalen solid-2 Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 20:35:56 20260529-1949-B400_B.11-30 10 H1_Night f56027ch + + - + + + + Ref 20260529 Zn disalen solid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 20:31:43 20260529-1948-B400_B.11-29 10 H1_Night f56027ch + + - + + + + Ref deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 20:26:49 20260529-1946-B400_B.11-26 10 H1_Night w61916tz + + - + + + + Ref sy-tz-2-20260527a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 20:22:06 20260529-1946-B400_B.11-26 11 H1_Night w61916tz + + - + + + + Ref sy-tz-1-20260527a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 20:16:07 20260529-1929-B400_B.11-23 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
21 20:11:46 20260529-1901-B400_B.11-21 10 H1_Night a53046hl + + - + + + + Ref QBB-G79-F16 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 19:57:30 20260529-1859-B400_B.11-25 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD_TMEDA-C6D6 Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 19:52:46 20260529-1859-B400_B.11-25 10 H1_Night b19299kh + + - + + + + Ref STL-XLD_TMEDA-C6D6 Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 18:58:21 20260529-1722-B400_B.11-20 11 C13_CPD_Night1024 b26045ab - + - - - + + Ref AT-ABO-03-063-F47-59 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 18:51:51 20260529-1722-B400_B.11-20 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-063-F47-59 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 18:49:37 20260529-1423-B400_B.11-60 22 H1_Night z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D
60 18:30:17 20260529-1423-B400_B.11-60 21 H1_P31_HMBC_Night z89001ep + + - + + + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 17:33:01 20260529-1331-B400_B.11-21 11 C13_CPD_Night1024 q62112nk + + - + + + + Ref djp-nk-424B Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 17:18:44 20260529-1713-B400_B.11-18 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1163-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 17:14:36 20260529-1713-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1163-ac Group Procter_D
30 16:22:58 20260529-1600-B400_B.11-30 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-Na2CbTMS+I2-supertanant-C6D6 Group Liddle_S
30 16:18:35 20260529-1600-B400_B.11-30 10 H1_Night b19299kh + + - + + + + Ref STL-XLD-Na2CbTMS+I2-supertanant-C6D6 Group Liddle_S
32 16:13:53 20260529-1607-B400_B.11-32 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_10_acol Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 16:09:09 20260529-1605-B400_B.11-31 1070301 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-07 Group Abbenseth_J JA-CD-I-07 Xanth recry and dry
30 16:01:33 20260529-1600-B400_B.11-30 12 Si29_DEPT90_Day b19299kh + + - + + + + Ref STL-XLD-Na2CbTMS+I2-supertanant-C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260529-1600-B400_B.11-30/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260529-1600-B400_B.11-30/12/pdata/1/peaks!
38 15:56:51 20260529-1546-B400_B.11-38 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1163-is Group Procter_D
37 15:48:32 20260529-1528-B400_B.11-33 50 H1_Day x06125gb + + - + + + + Ref RK21-E1-E3 Group Crisenza_G
36 15:44:25 20260529-1528-B400_B.11-33 40 H1_Day x06125gb + + - + + + + Ref RK28-A10-End Group Crisenza_G
35 15:40:00 20260529-1528-B400_B.11-33 30 H1_Day x06125gb + + - + + + + Ref RK28-A8-A9 Group Crisenza_G
34 15:36:42 20260529-1528-B400_B.11-33 20 H1_Day x06125gb + + - + + + + Ref RK28-A7 Group Crisenza_G
33 15:32:32 20260529-1528-B400_B.11-33 10 H1_Day x06125gb + + - + + + + Ref RK28-A5-A6 Group Crisenza_G
13 15:09:54 20260529-1451-B400_B.11-13 11 H1_COSY_Day f09303eg - + - - - + + Ref EG73 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
13 15:05:54 20260529-1451-B400_B.11-13 10 H1_Day f09303eg + + - + + + + Ref EG73 Group Webb_S
1 15:03:55 20260529-1456-B400_B.11-1 11 F19_NoCPD_Day q62112nk - + - - - + + Ref djp-nk-425C Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1 14:57:43 20260529-1456-B400_B.11-1 10 H1_Day16 q62112nk + + - + + + + Ref djp-nk-425C Group Procter_D
60 14:56:17 20260529-1423-B400_B.11-60 20 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:54:33 20260529-1423-B400_B.11-60 19 P31_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:53:07 20260529-1423-B400_B.11-60 18 P31_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:50:01 20260529-1423-B400_B.11-60 17 P31_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:48:44 20260529-1423-B400_B.11-60 16 B11_NoCPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260529-1423-B400_B.11-60/16/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260529-1423-B400_B.11-60/16/pdata/1/peaks!
60 14:46:15 20260529-1423-B400_B.11-60 15 B11_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260529-1423-B400_B.11-60/15/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260529-1423-B400_B.11-60/15/pdata/1/peaks!
60 14:41:54 20260529-1423-B400_B.11-60 14 C13_DEPT135_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:39:21 20260529-1423-B400_B.11-60 13 C13_CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:36:51 20260529-1423-B400_B.11-60 12 H1_P31CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:34:39 20260529-1423-B400_B.11-60 11 H1_B11CPD_Day z89001ep - + - - - + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:30:22 20260529-1423-B400_B.11-60 10 H1_Day16 z89001ep + + - + + + + Ref Y(BIPP-Ph)(BH4)2(THF)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:22:32 20260529-1417-B400_B.11-25 11 C13_CPD_Day x06125gb - + - - - + + Ref GCGB465Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:17:57 20260529-1417-B400_B.11-25 10 H1_Day x06125gb + + - + + + + Ref GCGB465Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:57:36 20260529-1355-B400_B.11-24 10 H1_Day m52750pm + + - x - - - Ref GC_MA2-ES Group Crisenza_G Lock failed after multiple attempts, lock: Command 'lock MeOD' failed. Lock is OFF, Command 'lock MeOD' failed. Lock is OFF
23 13:49:19 20260529-1342-B400_B.11-23 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1053-s3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 13:44:37 20260529-1341-B400_B.11-22 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1053-s2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 13:39:10 20260529-1331-B400_B.11-21 10 F19_NoCPD_Day q62112nk + + - + + + + Ref djp-nk-424B Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
20 13:34:15 20260529-1314-B400_B.11-20 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-323 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 13:32:08 20260529-1313-B400_B.11-19 11 F19_NoCPD_Day y52364mw - + - - - + + Ref GDB-MJ-D4-P1-F Group De bo_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
19 13:26:18 20260529-1313-B400_B.11-19 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D4-P1-F Group De bo_G
18 13:12:02 20260529-1305-B400_B.11-18 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1053-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 13:07:01 20260529-1305-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1053-ac Group Procter_D
20 13:00:04 20260529-1241-B400_B.11-20 10 H1_Day16 f56027ch + + - + + + + Ref sphos G2 BR py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 12:55:38 20260529-1216-B400_B.11-19 10 H1_Day c96786as + + - + + + + Ref sjw-as-40-5 Group Webb_S
18 12:51:27 20260529-1215-B400_B.11-18 10 H1_Day c96786as + + - + + + + Ref sjw-as-40-4 Group Webb_S
17 12:46:57 20260529-1215-B400_B.11-17 10 H1_Day c96786as + + - + + + + Ref sjw-as-40-3 Group Webb_S
16 12:42:49 20260529-1215-B400_B.11-16 10 H1_Day c96786as + + - + + + + Ref sjw-as-40-2 Group Webb_S
15 12:38:41 20260529-1215-B400_B.11-15 10 H1_Day c96786as + + - + + + + Ref sjw-as-40-1 Group Webb_S
12 12:36:46 20260529-1159-B400_B.11-12 12 C13_CPD_Day f09303eg - + - - - + + Ref EG71 bottom spot Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 12:30:56 20260529-1159-B400_B.11-12 11 H1_COSY_Day f09303eg - + - - - + + Ref EG71 bottom spot Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 12:27:15 20260529-1159-B400_B.11-12 10 H1_Day f09303eg + + - + + + + Ref EG71 bottom spot Group Webb_S
11 12:24:39 20260529-1159-B400_B.11-11 12 C13_CPD_Day f09303eg - + - - - + + Ref EG71 top spot Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 12:18:46 20260529-1159-B400_B.11-11 11 H1_COSY_Day f09303eg - + - - - + + Ref EG71 top spot Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
11 12:14:18 20260529-1159-B400_B.11-11 10 H1_Day f09303eg + + - + + + + Ref EG71 top spot Group Webb_S
8 12:09:30 20260529-1204-B400_B.11-8 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_38_acol Group Leigh_D
7 12:04:41 20260529-1203-B400_B.11-7 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_10_S1_crude Group Leigh_D
6 12:01:12 20260529-1158-B400_B.11-6 10 H1_Day m52750pm + + - + + + + Ref GC_MP74+is Group Crisenza_G
5 11:58:06 20260529-1157-B400_B.11-5 10 H1_Day m52750pm + + - + + + + Ref GC_MP73+is Group Crisenza_G
4 10:44:36 20260529-1043-B400_B.11-4 10 H1_Day x06125gb + + - + + + + Ref RK28-C Group Crisenza_G
10 10:31:09 20260529-1022-B400_B.11-10 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH40.2 Group Mills_D 2d 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260529-1022-B400_B.11-10/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260529-1022-B400_B.11-10/12/pdata/1/peaks!
10 10:26:46 20260529-1022-B400_B.11-10 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH40.2 Group Mills_D 2d 60C
10 10:22:55 20260529-1022-B400_B.11-10 10 H1_Day g36620hh + + - + + + + Ref HH40.2 Group Mills_D 2d 60C
9 09:23:50 20260529-0920-B400_B.11-9 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43C Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 09:20:02 20260529-0919-B400_B.11-8 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-49 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:09:43 20260529-0908-B400_B.11-3 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_38_crude Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 07:56:47 20260529-0751-B400_B.11-32 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1689 Column Fractions 130+ Runoff - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 07:51:57 20260529-0750-B400_B.11-31 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1689 Column Fractions 110-120 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 22:13:02 20260528-2201-B400_B.11-2 10 H1_Day v98169ls + + - + + + + Ref mfm-300 cr formic no pphhotosensitiserr Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 22:08:17 20260528-2201-B400_B.11-1 10 H1_Day v98169ls + + - + + + + Ref mfm--300 cr formi no light Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 22:03:49 20260528-1829-B400_B.11-46 1070201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-07 Group Abbenseth_J JA-CD-I-07 NON lig sec recry EtOH/tol 10:1
45 21:59:43 20260528-1827-B400_B.11-45 1050201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-05 Group Abbenseth_J JA-CD-I-05 NNN sec recry hex sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 21:54:38 20260528-1825-B400_B.11-44 1090101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-09 Group Abbenseth_J JA-CD-I-09 NNN Bi complex wash hex sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 20:25:40 20260528-1811-B400_B.11-43 10 H1_Night1024 j83970qc + + - + + + + Ref qc e826 click repeat Group De bo_G
53 20:21:11 20260528-1748-B400_B.11-48 40 H1_Day x06125gb + + - + + + + Ref RK21-E4-E6 Group Crisenza_G
52 20:17:40 20260528-1748-B400_B.11-48 30 H1_Day x06125gb + + - + + + + Ref RK21-E1-E3 Group Crisenza_G
50 20:14:16 20260528-1748-B400_B.11-48 20 H1_Day x06125gb + + - + + + + Ref RK21-C10-D8 Group Crisenza_G
48 20:09:29 20260528-1748-B400_B.11-48 10 H1_Day x06125gb + + - + + + + Ref RK21-C2-C9 Group Crisenza_G
47 20:01:02 20260528-1926-B400_B.11-47 11 H1_Night d93111sd + + - + x + + Ref IL-SD-389-1.5hr Group Larrosa_I topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 19:25:53 20260528-1714-B400_B.11-42 14 H1_C13_HMBC_Night r25963ar - + - - - + + Ref BiCAuSPh-tBu Group Romanov_A HMBC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 19:10:31 20260528-1714-B400_B.11-42 13 H1_C13_HSQC_Night r25963ar - + - - - + + Ref BiCAuSPh-tBu Group Romanov_A HSQC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 18:52:59 20260528-1714-B400_B.11-42 12 H1_COSY_HiRes_Night r25963ar + + - + + + + Ref BiCAuSPh-tBu Group Romanov_A COSY mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
47 18:46:30 20260528-1840-B400_B.11-47 10 H1_Day16 q62112nk + + - + + + + Ref djp-nk-424B Group Procter_D
42 17:48:54 20260528-1714-B400_B.11-42 11 C13_CPD_Night1024 r25963ar + + - + + + + Ref BiCAuSPh-tBu Group Romanov_A 13C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:34:00 20260528-1728-B400_B.11-43 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1158-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:29:39 20260528-1728-B400_B.11-43 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1158-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 17:23:45 20260528-1714-B400_B.11-42 10 H1_Night r25963ar + + - + + + + Ref BiCAuSPh-tBu Group Romanov_A BiCAuSPh-tBu
41 17:17:20 20260528-1712-B400_B.11-41 10 H1_Day16 r25963ar + + - + + + + Ref BiC BF4 Group Romanov_A BiC BF4
37 17:13:07 20260528-1623-B400_B.11-37 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-349-P2 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 17:06:39 20260528-1622-B400_B.11-36 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-349-P1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 17:06:20 20260528-1623-B400_B.11-37 10 H1_Day16 y52364mw - - - - - - - Ref GDB-MJ-349-P2 Group De bo_G Automation was stopped by user
37 16:28:17 20260528-1623-B400_B.11-37 10 H1_Day16 y52364mw x - - - - - - Ref GDB-MJ-349-P2 Group De bo_G WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
36 16:27:12 20260528-1622-B400_B.11-36 10 H1_Day16 y52364mw - - - - - - - Ref GDB-MJ-349-P1 Group De bo_G
35 16:21:16 20260528-1610-B400_B.11-35 11 H1_COSY_Day f09303eg - + - - - + + Ref EG71 wash Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
35 16:16:37 20260528-1610-B400_B.11-35 10 H1_Day f09303eg + + - + + + + Ref EG71 wash Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 16:12:15 20260528-1607-B400_B.11-31 10 H1_Day a53046hl + + - + + + + Ref QBB-G77-postwu Group Leigh_D
30 16:06:29 20260528-1605-B400_B.11-30 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-228 P1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:56:14 20260528-1555-B400_B.11-18 10 H1_Day x06125gb + + - + + + + Ref GCGB456F38-58 Group Crisenza_G
17 14:57:38 20260528-1457-B400_B.11-17 10 H1_Day e14150oc + + - + + + + Ref oc_Thread_D_crude1 Group Winpenny_R
13 14:51:22 20260528-1450-B400_B.11-13 10 H1_Day h68355ac + + - + + + + Ref djp-oc-sulfon-iodide Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 14:46:10 20260528-1445-B400_B.11-12 10 H1_Day a53046hl + + - + + + + Ref QBB-G77-18hrs-conc Group Leigh_D
11 14:29:25 20260528-1429-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref QBB-G77-18hrs Group Leigh_D
3 14:11:16 20260528-1410-B400_B.11-3 10 H1_Day x06125gb + + - + + + + Ref GCGB456ColEarly Group Crisenza_G
2 13:36:42 20260528-1331-B400_B.11-2 3110131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-11 Group Abbenseth_J JA-SiS-III-11 (NNN)PBr2 after worik up - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:32:36 20260528-1331-B400_B.11-2 3110101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-11 Group Abbenseth_J JA-SiS-III-11 (NNN)PBr2 after worik up - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 13:15:36 20260528-1305-B400_B.11-60 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1678 - CDCl3 Group De bo_G
59 13:09:59 20260528-1305-B400_B.11-59 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1671 - CDCl3 Group De bo_G
58 13:05:53 20260528-1303-B400_B.11-58 2160201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2160201 Group Abbenseth_J SiRi216 SbCyNN Iodotrifluoprotoluene in DFB 30mg after 1 night 550nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
57 13:03:03 20260528-1301-B400_B.11-57 2150201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2150201 Group Abbenseth_J SiRi215 SbCyNNN Iodotrifluorotoluene in THF after 1 night 550nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
42 11:57:16 20260528-1147-B400_B.11-42 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1687-1 Et2O-precipitated polymer - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 11:48:41 20260528-1147-B400_B.11-41 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1686-1 Et2O-precipitated polymer - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 10:49:01 20260528-1048-B400_B.11-30 10 H1_Day16 m49300gs + + - + + + + Ref maleic-10mg-cubdp-50mg Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 10:34:56 20260528-1034-B400_B.11-23 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-L1 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 09:55:21 20260528-0955-B400_B.11-7 10 H1_Day m19368jb + + - + + + + Ref AK-JB67 Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 09:46:34 20260528-0941-B400_B.11-54 2130401 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2130401 Group Abbenseth_J SiRi213 SbCyNNN Bn tBuCl after 1 day rt
53 09:40:43 20260528-0934-B400_B.11-53 11 H1_COSY_Day p13528bg - + - - - + + Ref COSY 16h crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
53 09:35:40 20260528-0934-B400_B.11-53 10 H1_Day p13528bg + + - + + + + Ref 16h crude Group De bo_G
51 07:24:04 20260528-0723-B400_B.11-51 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1690 Column S.M. Fraction - CDCl3 Group De bo_G
3 03:32:25 20260528-0211-B400_B.11-1 32 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-682-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 03:25:11 20260528-0211-B400_B.11-1 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-682-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 03:17:19 20260528-0211-B400_B.11-1 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-682-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 03:03:04 20260528-0211-B400_B.11-1 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-682-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 02:57:18 20260528-0211-B400_B.11-1 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-682-2 Group Procter_D
1 02:39:50 20260528-0211-B400_B.11-1 11 C13_CPD_Night256 a74776dr + + - + + + + Ref DJP-DR-2-682-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 02:25:31 20260528-0211-B400_B.11-1 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-682-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 02:20:07 20260528-0211-B400_B.11-1 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-682-3 Group Procter_D
1 02:14:08 20260528-0211-B400_B.11-1 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-682-1 Group Procter_D
15 23:26:56 20260527-2105-B400_B.11-15 15 C13_DEPTQ_Night f11141tm - + - - - + + Ref H2SalBun DEPTQ Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 22:59:41 20260527-2105-B400_B.11-15 14 C13_DEPT135_Night f11141tm - + - - - + + Ref H2SalBun DEPT135 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 22:32:17 20260527-2105-B400_B.11-15 13 C13_DEPT90_Night f11141tm - + - - - + + Ref H2SalBun DEPT90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 22:16:56 20260527-2105-B400_B.11-15 12 H1_C13_HSQC_Night f11141tm - + - - - + + Ref H2SalBun HSQC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
15 21:22:36 20260527-2105-B400_B.11-15 11 C13_CPD_Night1024 f11141tm - + - - - + + Ref H2SalBun CNMR ns1024 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 21:08:10 20260527-2105-B400_B.11-15 10 H1_Night128 f11141tm + + - + + + + Ref H2SalBun HNMR ns128 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 21:00:11 20260527-2059-B400_B.11-49 10 H1_Day z92209cg + + - + + + + Ref gcu-004-check-200mg Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 20:16:06 20260527-2009-B400_B.11-47 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
46 20:10:06 20260527-2009-B400_B.11-46 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
45 19:32:29 20260527-1915-B400_B.11-45 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
44 19:26:28 20260527-1851-B400_B.11-44 10 H1_Night a53046hl + + - + + + + Ref QBB-G77-2hrs Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 19:24:25 20260527-1848-B400_B.11-43 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_flash Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260527-1848-B400_B.11-43/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260527-1848-B400_B.11-43/11/pdata/1/peaks!
43 19:18:22 20260527-1848-B400_B.11-43 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_flash Group Crisenza_G
42 19:16:19 20260527-1846-B400_B.11-42 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_gialle Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
42 19:11:17 20260527-1846-B400_B.11-42 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_gialle Group Crisenza_G
41 19:09:14 20260527-1846-B400_B.11-41 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr30-39 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
41 19:03:54 20260527-1846-B400_B.11-41 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr30-39 Group Crisenza_G
40 19:01:52 20260527-1844-B400_B.11-40 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr19-29 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
40 18:57:08 20260527-1844-B400_B.11-40 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr19-29 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 18:55:06 20260527-1843-B400_B.11-39 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr15-18 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260527-1843-B400_B.11-39/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Crisenza_G/data/m52750pm/nmr/20260527-1843-B400_B.11-39/11/pdata/1/peaks!
39 18:50:23 20260527-1843-B400_B.11-39 10 H1_Day m52750pm + + - + + + + Ref GC_MP71_fr15-18 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 18:48:14 20260527-1841-B400_B.11-38 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP71_fr7-14 Group Crisenza_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
38 18:43:08 20260527-1841-B400_B.11-38 10 H1_Night m52750pm + + - + + + + Ref GC_MP71_fr7-14 Group Crisenza_G
37 18:23:03 20260527-1821-B400_B.11-37 1070101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-07 Group Abbenseth_J JA-CD-I-07 recry EtOH/tol 10:1
34 18:05:15 20260527-1759-B400_B.11-34 10 H1_Day16 f56027ch + + - + + + + Ref py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 18:00:31 20260527-1759-B400_B.11-33 10 H1_Day16 f56027ch + + - + + + + Ref 20260524 Br py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 17:41:56 20260527-1113-B400_B.11-2 2130301 H1_Day w05220ss + + - + x + + Ref JA-SiRi-II-2130301 Group Abbenseth_J SiRi213 SbCyNNN Bn in THF tBuCl added (darker green) after 6h topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 16:47:15 20260527-1639-B400_B.11-45 12 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-70-p2 4cf3 phenoxy Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
45 16:40:26 20260527-1639-B400_B.11-45 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-70-p2 4cf3 phenoxy Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 16:26:22 20260527-1625-B400_B.11-43 10 H1_Day a53046hl + + - + + + + Ref QBB-G75-F30-40 Group Leigh_D
42 16:24:56 20260527-1616-B400_B.11-42 3100232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-10 Group Abbenseth_J JA-SiS-III-10 P(NNN) CF3Aniline - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:22:22 20260527-1616-B400_B.11-42 3100231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-10 Group Abbenseth_J JA-SiS-III-10 P(NNN) CF3Aniline - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:18:18 20260527-1616-B400_B.11-42 3100201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-10 Group Abbenseth_J JA-SiS-III-10 P(NNN) CF3Aniline - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:05:24 20260527-1604-B400_B.11-41 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1690 Column Mid Band - CDCl3 Group De bo_G
32 15:08:00 20260527-1500-B400_B.11-32 10 H1_Day16 p13528bg + + - + + + + Ref BG-023e) 16h crude Group De bo_G
31 15:06:04 20260527-1454-B400_B.11-31 12 C13_CPD_Day f09303eg - + - - - + + Ref EG71 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 15:00:15 20260527-1454-B400_B.11-31 11 H1_COSY_Day f09303eg - + - - - + + Ref EG71 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 14:55:36 20260527-1454-B400_B.11-31 10 H1_Day f09303eg + + - + + + + Ref EG71 Group Webb_S
10 14:24:16 20260527-1422-B400_B.11-10 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-146a Group Procter_D
9 14:20:43 20260527-1414-B400_B.11-8 20 H1_Day x06125gb + + - + + + + Ref GCGB458Flush Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 14:16:08 20260527-1414-B400_B.11-8 10 H1_Day x06125gb + + - + + + + Ref GCGB458Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:49:13 20260527-1335-B400_B.11-5 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1149-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 13:44:23 20260527-1336-B400_B.11-6 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1156-ac-s1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:38:29 20260527-1335-B400_B.11-5 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1149-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 13:35:07 20260527-1308-B400_B.11-4 2160101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2160101 Group Abbenseth_J SiRi216 SbCyNNN Iodotrifluorotoluene in THF 30mg before irradiation log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
3 13:32:19 20260527-1307-B400_B.11-3 2150101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2150101 Group Abbenseth_J SiRi215 SbCyNNN iodotrifluorotoluene in DFB 30 mg before irradiation topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
2 13:27:23 20260527-1113-B400_B.11-2 2130201 H1_Day w05220ss + + - + x + + Ref JA-SiRi-II-2130101 Group Abbenseth_J SiRi213 SbCyNNN Bn in THF tBuCl added (darker green) after 2 h topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:25:13 20260527-1227-B400_B.11-30 12 F19_NoCPD_Day f09303eg - + - - - + + Ref EG74 Group Webb_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260527-1227-B400_B.11-30/12/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260527-1227-B400_B.11-30/12/pdata/1/peaks!
30 13:19:23 20260527-1227-B400_B.11-30 11 H1_COSY_Day f09303eg - + - - - + + Ref EG74 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 13:13:59 20260527-1227-B400_B.11-30 10 H1_Day f09303eg + + - + + + + Ref EG74 Group Webb_S
23 13:11:37 20260527-1242-B400_B.11-23 11 F19_NoCPD_Day h32367lm - + - - - + + Ref MCLM-NH2PFC wknd Group Leigh_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23 13:04:53 20260527-1242-B400_B.11-23 10 H1_Day16 h32367lm + + - + + + + Ref MCLM-NH2PFC wknd Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 13:02:56 20260527-1240-B400_B.11-22 11 C13_CPD_Day h32367lm - + - - - + + Ref LM2605ureaext Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 12:57:44 20260527-1240-B400_B.11-22 10 H1_Day16 h32367lm + + - + + + + Ref LM2605ureaext Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 12:53:36 20260527-1240-B400_B.11-21 10 H1_Day j40457bh + + - + + + + Ref bh s quinaz p Group Coram_M
20 12:48:39 20260527-1240-B400_B.11-20 10 H1_Day j40457bh + + - + + + + Ref bh se50 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 12:45:12 20260527-1230-B400_B.11-19 10 H1_Day a53046hl + + - + + + + Ref QBB-G75-1hr Group Leigh_D
18 12:26:50 20260527-1050-B400_B.11-18 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1159-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 12:16:12 20260527-1215-B400_B.11-14 10 H1_Day e72206ov + + - + + + + Ref ov-006-b, silica waste recov test Group De bo_G
7 12:06:35 20260527-1157-B400_B.11-7 10 H1_Day m19368jb + + - + + + + Ref AK-JB-TCB Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 12:04:08 20260527-1151-B400_B.11-6 12 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-249 trans PE washed Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 11:58:17 20260527-1151-B400_B.11-6 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-249 trans PE washed Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 11:53:42 20260527-1151-B400_B.11-6 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-249 trans PE washed Group De bo_G
5 11:47:17 20260527-1146-B400_B.11-5 10 H1_Day16 p13528bg + + - + + + + Ref BG-023e) 16h crude Group De bo_G
4 11:29:25 20260527-1126-B400_B.11-4 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb011-27May26 Group Goodwin_C
3 11:25:15 20260527-1124-B400_B.11-3 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-48E Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 11:14:50 20260527-1113-B400_B.11-2 2130101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2130101 Group Abbenseth_J SiRi213 SbCyNNN Bn in THF tBuCl added (colour change yellow to green) sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 11:06:46 20260527-1058-B400_B.11-27 10 H1_Day w61916tz + + - + + + + Ref sy-tz-16-20260525c-c-1h Group Yang_S
19 11:04:35 20260527-1055-B400_B.11-19 3100119 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-10 Group Abbenseth_J JA-SiS-III-10 P(NNN) CF3Aniline - 19F log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
19 11:01:52 20260527-1055-B400_B.11-19 3100131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-10 Group Abbenseth_J JA-SiS-III-10 P(NNN) CF3Aniline - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 10:57:34 20260527-1055-B400_B.11-19 3100101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-10 Group Abbenseth_J JA-SiS-III-10 P(NNN) CF3Aniline - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 10:51:05 20260527-1050-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1159-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 10:37:42 20260527-1030-B400_B.11-29 2100201 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2100201 Group Abbenseth_J SiRi210 SbCyNNN Bn after 1 day in THF
27 10:32:06 20260527-1017-B400_B.11-27 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH40.1 Group Mills_D o.n. 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260527-1017-B400_B.11-27/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260527-1017-B400_B.11-27/12/pdata/1/peaks!
27 10:27:23 20260527-1017-B400_B.11-27 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH40.1 Group Mills_D o.n. 60C
27 10:23:55 20260527-1017-B400_B.11-27 10 H1_Day g36620hh + + - + + + + Ref HH40.1 Group Mills_D o.n. 60C
26 10:20:46 20260527-1016-B400_B.11-26 10 H1_Day a53046hl + + - + + + + Ref QBB-G76-F9 Group Leigh_D
25 10:18:50 20260527-1004-B400_B.11-25 12 F19_NoCPD_Day f09303eg - + - - - + + Ref EG74 crude Group Webb_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
25 10:12:57 20260527-1004-B400_B.11-25 11 H1_COSY_Day f09303eg - + - - - + + Ref EG74 crude Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 10:08:24 20260527-1004-B400_B.11-25 10 H1_Day f09303eg + + - + + + + Ref EG74 crude Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 10:04:41 20260527-0956-B400_B.11-23 20 H1_Day x06125gb + + - + + + + Ref GCGB457Cr Group Crisenza_G
23 10:00:24 20260527-0956-B400_B.11-23 10 H1_Day x06125gb + + - + + + + Ref GCGB460Cr Group Crisenza_G
22 09:57:22 20260527-0943-B400_B.11-22 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 09:54:00 20260527-0943-B400_B.11-21 10 H1_Day a53046hl + + - + + + + Ref ph-711-fuel Group Leigh_D
20 09:50:28 20260527-0942-B400_B.11-20 10 H1_Day a53046hl + + - + + + + Ref ph-710-fuel Group Leigh_D
19 09:46:27 20260527-0940-B400_B.11-19 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-5 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 09:41:52 20260527-0940-B400_B.11-18 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 09:38:09 20260527-0937-B400_B.11-17 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-48C.2 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:26:48 20260527-0926-B400_B.11-1 10 H1_Day z16689fe + + - + + + + Ref DJP FE 433 (second column) Group Procter_D
17 09:18:14 20260527-0917-B400_B.11-17 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-48C.2 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 09:02:32 20260527-0900-B400_B.11-58 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1440 Old sample after vis light - CDCl3 Group De bo_G
2 08:51:26 20260527-0844-B400_B.11-2 3070331 P31_Wide_Day w05220ss - + - - - + + Ref JA-SIS-III-07 Group Abbenseth_J JA-SIS-III-07 P(NNN) hv - 19h - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 08:47:02 20260527-0844-B400_B.11-2 3070301 H1_Day16 w05220ss + + - + + + + Ref JA-SIS-III-07 Group Abbenseth_J JA-SIS-III-07 P(NNN) hv - 19h - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 08:36:51 20260527-0836-B400_B.11-58 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1440 Old - CDCl3 Group De bo_G
58 08:25:54 20260527-0825-B400_B.11-58 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1440 Old - CDCl3 Group De bo_G
16 06:55:25 20260527-0655-B400_B.11-16 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-444 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 03:51:07 20260527-0301-B400_B.11-1 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-679-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 03:43:16 20260527-0301-B400_B.11-1 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-679-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 03:29:00 20260527-0301-B400_B.11-1 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-679-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 03:24:30 20260527-0301-B400_B.11-1 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-679-3 Group Procter_D
1 03:10:14 20260527-0301-B400_B.11-1 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-679-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 03:03:29 20260527-0301-B400_B.11-1 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-679-2 Group Procter_D
32 02:01:17 20260526-2223-B400_B.11-32 17 C13_DEPT135_Night w61916tz - + - - - + + Ref sy-tz-15-20260524c-dept135 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 01:47:01 20260526-2223-B400_B.11-32 16 C13_CPD_Night256 w61916tz - + - - - + + Ref sy-tz-15-20260524c-cpd Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 01:19:35 20260526-2223-B400_B.11-32 15 C13_DEPT90_Night w61916tz - + - - - + + Ref sy-tz-15-20260524c-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 00:44:26 20260526-2223-B400_B.11-32 14 H1_C13_HMBC_Night w61916tz - + - - - + + Ref sy-tz-15-20260524c-hmbc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
32 00:29:05 20260526-2223-B400_B.11-32 13 H1_C13_HSQC_Night w61916tz - + - - - + + Ref sy-tz-15-20260524c-hsqc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
32 00:15:38 20260526-2223-B400_B.11-32 12 H1_COSY_HiRes_Night w61916tz - + - - - + + Ref sy-tz-15-20260524c-cosy Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
32 00:11:05 20260526-2223-B400_B.11-32 10 H1_Night w61916tz + + - + + + + Ref sy-tz-15-20260524c-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 23:35:56 20260526-1513-B400_B.11-22 17 H1_C13_HMBC_Night a53046hl - + - - - + + Ref QBB-G76-postwu Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
22 23:21:41 20260526-1513-B400_B.11-22 14 C13_CPD_Night256 a53046hl - + - - - + + Ref QBB-G76-postwu Group Leigh_D
22 23:06:19 20260526-1513-B400_B.11-22 13 H1_C13_HSQC_Night a53046hl - + - - - + + Ref QBB-G76-postwu Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
22 23:01:47 20260526-1513-B400_B.11-22 12 H1_Night a53046hl + + - + + + + Ref QBB-G76-postwu Group Leigh_D
19 22:08:02 20260526-1824-B400_B.11-19 12 C13_CPD_Night1024 b19299kh - + - - - + + Ref STL-XLD-I2-XHD1-3rdcycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 21:53:46 20260526-1824-B400_B.11-19 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-XHD1-3rdcycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 21:39:41 20260526-1824-B400_B.11-19 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-XHD1-3rdcycle-drops of THF Group Liddle_S
21 21:34:54 20260526-1808-B400_B.11-21 10 H1_Day16 a53046hl + + - + + + + Ref b1p3-49 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 21:31:09 20260526-1712-B400_B.11-34 10 H1_Day a53046hl + + - + + + + Ref mc092mes-45-monomes-check Group Leigh_D
31 20:55:59 20260526-1533-B400_B.11-31 14 H1_C13_HMBC_Night c96786as - + - - - + + Ref sjw-as-39-2 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 20:40:38 20260526-1533-B400_B.11-31 13 H1_C13_HSQC_Night c96786as - + - - - + + Ref sjw-as-39-2 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 20:27:09 20260526-1533-B400_B.11-31 12 H1_COSY_HiRes_Night c96786as - + - - - + + Ref sjw-as-39-2 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 20:12:53 20260526-1533-B400_B.11-31 11 C13_CPD_Night256 c96786as - + - - - + + Ref sjw-as-39-2 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 20:06:40 20260526-1533-B400_B.11-31 10 H1_Night c96786as + + - + + + + Ref sjw-as-39-2 Group Webb_S
20 19:55:05 20260526-0817-B400_B.11-20 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-Cl2-XHD1-wasshed by tol-drops of THF Group Liddle_S
20 18:59:14 20260526-0817-B400_B.11-20 10 C13_CPD_Night1024 b19299kh + + - + + + + Ref STL-XLD-Cl2-XHD1-wasshed by tol-drops of THF Group Liddle_S
25 18:53:26 20260526-1849-B400_B.11-25 10 H1_Day16 g16660ml + + - + + + + Ref djp Group Procter_D
24 18:49:02 20260526-1829-B400_B.11-24 10 H1_Night m46745sw + + - + + + + Ref 45-P Group Natrajan_L
46 18:45:56 20260526-1815-B400_B.11-46 10 H1_Day a53046hl + + - + + + + Ref ph-711-fuel Group Leigh_D
45 18:42:37 20260526-1814-B400_B.11-45 10 H1_Day a53046hl + + - + + + + Ref ph-710-fuel Group Leigh_D
23 18:35:54 20260526-1802-B400_B.11-23 11 H1_Night d93111sd + + - + x + + Ref IL-SD-389-2-4 Group Larrosa_I topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 18:20:27 20260526-1513-B400_B.11-22 13 H1_C13_HSQC_Night a53046hl - + - - - + + Ref QBB-G76-1hrs Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
22 18:15:58 20260526-1513-B400_B.11-22 12 H1_Night a53046hl + + - + + + + Ref QBB-G76-1hrs Group Leigh_D
24 18:11:11 20260526-1809-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF162 fuelled 6h Group Leigh_D ALF162 fuelled 6h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 17:49:00 20260526-1513-B400_B.11-22 11 C13_CPD_Night256 a53046hl + + - + + + + Ref QBB-G76-1hrs Group Leigh_D
27 17:30:42 20260526-1525-B400_B.11-27 11 C13_CPD_Night256 g12544rc + + - + + + + Ref carbon sono rc009 Group De bo_G
33 17:26:52 20260526-1706-B400_B.11-33 10 H1_Day z92209cg + + - + + + + Ref ALF162 fuelled 5h Group Leigh_D ALF162 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 17:22:19 20260526-1704-B400_B.11-32 10 H1_Day z92209cg + + - + + + + Ref ALF160 fuelled 5h Group Leigh_D ALF160 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 17:04:39 20260526-1532-B400_B.11-30 10 C13_CPD_Night256 c96786as + + - + + + + Ref sjw-as-36-5 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 17:00:35 20260526-1653-B400_B.11-33 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
32 16:57:04 20260526-1634-B400_B.11-32 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-47 Group Riddell_I
29 16:52:40 20260526-1530-B400_B.11-29 1080101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-08 Group Abbenseth_J JA-CD-I-08 NNN Bi hex wash sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 16:48:04 20260526-1527-B400_B.11-28 10 H1_Day f09303eg - - - - - - - Ref EG71 crude Group Webb_S
27 16:43:23 20260526-1525-B400_B.11-27 10 H1_Day g12544rc + + - + + + + Ref Proton Sono rc009 Group De bo_G
26 16:39:18 20260526-1524-B400_B.11-26 10 H1_Day e72206ov + + - + + + + Ref ov-006-b F9-11 col 1 Group De bo_G
25 16:36:41 20260526-1515-B400_B.11-25 11 C13_CPD_Day y01348dm - + - - - + + Ref DM44-spot-A Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 16:33:16 20260526-1515-B400_B.11-25 10 H1_Day y01348dm + + - + + + + Ref DM44-spot-A Group Keerthi_A
24 16:29:59 20260526-1523-B400_B.11-24 10 H1_Day e72206ov + + - + + + + Ref ov-006-b, F4-8 col 1 Group De bo_G
23 16:22:55 20260526-1520-B400_B.11-23 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1440 Old Sample - CDCl3 Group De bo_G
22 16:19:25 20260526-1513-B400_B.11-22 10 H1_Day a53046hl + + - + + + + Ref QBB-G76-1hrs Group Leigh_D
21 16:05:25 20260526-1511-B400_B.11-21 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 447 Group Procter_D
19 15:59:50 20260526-1506-B400_B.11-19 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH40.0 Group Mills_D 10 min sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260526-1506-B400_B.11-19/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260526-1506-B400_B.11-19/12/pdata/1/peaks!
19 15:55:29 20260526-1506-B400_B.11-19 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH40.0 Group Mills_D 10 min
19 15:52:02 20260526-1506-B400_B.11-19 10 H1_Day g36620hh + + - + + + + Ref HH40.0 Group Mills_D 10 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:48:16 20260526-1455-B400_B.11-18 10 H1_Day z92209cg + + - + + + + Ref ALF162 fuelled 3h30 Group Leigh_D ALF162 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 15:44:37 20260526-1454-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF161 fuelled 3h30 Group Leigh_D ALF161 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 15:40:01 20260526-1453-B400_B.11-16 10 H1_Day z92209cg + + - + + + + Ref ALF160 fuelled 3h30 Group Leigh_D ALF160 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 15:35:18 20260526-1445-B400_B.11-15 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-5 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 15:30:03 20260526-1445-B400_B.11-14 10 H1_Day u67812sg + + - + + + + Ref sq-2-43-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 15:25:40 20260526-1443-B400_B.11-12 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-156b Group Procter_D
12 15:21:17 20260526-1443-B400_B.11-12 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-156a Group Procter_D
11 15:15:32 20260526-1441-B400_B.11-11 10 H1_Day x06125gb + + - + + + + Ref RK27-C Group Crisenza_G
10 15:11:02 20260526-1435-B400_B.11-10 10 H1_Day m52750pm + + - + x + + Ref GC_MP67 Group Crisenza_G topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:04:55 20260526-1433-B400_B.11-9 10 H1_Day d93111sd + + - + + + + Ref IL-SD-389-2-3 Group Larrosa_I
8 15:00:48 20260526-1416-B400_B.11-8 10 H1_Day16 a76294rm + + - + + + + Ref CS_02-1H-Y_bipy Group Goodwin_C
7 14:57:09 20260526-1414-B400_B.11-7 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
6 14:53:59 20260526-1414-B400_B.11-6 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
5 14:50:20 20260526-1414-B400_B.11-5 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
4 14:45:54 20260526-1414-B400_B.11-4 10 H1_Day g16660ml + + - + + + + Ref djp-muz Group Procter_D
3 14:42:30 20260526-1413-B400_B.11-3 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
2 14:35:54 20260526-1413-B400_B.11-2 10 H1_Day g16660ml + + - + + + + Ref djp Group Procter_D
1 14:30:01 20260526-1412-B400_B.11-1 13 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-249 trans crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
1 14:28:06 20260526-1412-B400_B.11-1 12 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-249 trans crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 14:23:13 20260526-1412-B400_B.11-1 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-249 trans crude Group De bo_G
58 14:19:35 20260526-1409-B400_B.11-58 10 H1_Day z92209cg + + - + + + + Ref ALF162 fuelled 2h Group Leigh_D ALF162 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:15:31 20260526-1409-B400_B.11-57 10 H1_Day z92209cg + + - + + + + Ref ALF161 fuelled 2h Group Leigh_D ALF161 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 14:11:17 20260526-1408-B400_B.11-54 10 H1_Day z92209cg + + - + + + + Ref ALF160 fuelled 2h Group Leigh_D ALF160 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:08:53 20260526-1356-B400_B.11-52 21 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-155g Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:03:50 20260526-1356-B400_B.11-52 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155g Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:01:24 20260526-1356-B400_B.11-52 11 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-155e Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 13:56:34 20260526-1356-B400_B.11-52 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155e Group Procter_D
51 13:45:55 20260526-1339-B400_B.11-51 2070101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2070101 Group Abbenseth_J SiRi207 SbCyNNN KBn crypt recrysr THF hex
50 13:42:16 20260526-1258-B400_B.11-50 10 H1_Day z92209cg + + - + + + + Ref ALF161 fuelled 1h30 Group Leigh_D ALF161 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 13:38:30 20260526-1258-B400_B.11-49 10 H1_Day z92209cg + + - + + + + Ref ALF160 fuelled 1h30 Group Leigh_D ALF160 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 13:35:07 20260526-1259-B400_B.11-51 10 H1_Day z92209cg + + - + + + + Ref ALF162 fuelled 1h30 Group Leigh_D ALF162 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 13:13:29 20260526-1259-B400_B.11-51 10 H1_Day z92209cg + + - + + + + Ref ALF162 fuelled 1h Group Leigh_D ALF162 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 13:09:42 20260526-1258-B400_B.11-50 10 H1_Day z92209cg + + - + + + + Ref ALF161 fuelled 1h Group Leigh_D ALF161 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 13:05:05 20260526-1258-B400_B.11-49 10 H1_Day z92209cg + + - + + + + Ref ALF160 fuelled 1h Group Leigh_D ALF160 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 13:00:09 20260526-1255-B400_B.11-48 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_9_aautocol Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 09:39:25 20260526-0927-B400_B.11-47 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-47 crude Group Riddell_I
46 09:34:49 20260526-0927-B400_B.11-46 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-46 Group Riddell_I
45 09:33:24 20260526-0924-B400_B.11-45 3070133 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-07 Group Abbenseth_J JA-SiS-III-07 P(NNN) before radiation - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260526-0924-B400_B.11-45/3070133/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260526-0924-B400_B.11-45/3070133/pdata/1/peaks!
45 09:31:58 20260526-0924-B400_B.11-45 3070132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-07 Group Abbenseth_J JA-SiS-III-07 P(NNN) before radiation - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 09:29:53 20260526-0924-B400_B.11-45 3070131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-07 Group Abbenseth_J JA-SiS-III-07 P(NNN) before radiation - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 09:25:50 20260526-0924-B400_B.11-45 3070101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-07 Group Abbenseth_J JA-SiS-III-07 P(NNN) before radiation - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 08:29:12 20260526-0822-B400_B.11-44 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1681 2nd Column Fractions 20-28 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 08:23:17 20260526-0821-B400_B.11-43 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1681 2nd Column Fractions 11-19 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 08:03:32 20260526-0731-B400_B.11-41 3050632 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) hv over Weekend - 31{1H}
42 08:00:36 20260526-0731-B400_B.11-41 3050631 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) hv over Weekend - 31{1H}
41 07:37:48 20260526-0731-B400_B.11-41 3050533 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) hv over Weekend - 31 pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260526-0731-B400_B.11-41/3050533/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260526-0731-B400_B.11-41/3050533/pdata/1/peaks!
41 07:36:22 20260526-0731-B400_B.11-41 3050532 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) hv over Weekend - 31
41 07:33:25 20260526-0731-B400_B.11-41 3050531 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) hv over Weekend - 31{1H}
40 20:01:31 20260525-1812-B400_B.11-40 10 H1_Day16 j83970qc + + - + + + + Ref qc e827 ps meoh Group De bo_G
39 18:32:19 20260525-1812-B400_B.11-39 10 H1_Night1024 j83970qc + + - + + + + Ref qc e827 psp Group De bo_G
38 18:27:50 20260525-1749-B400_B.11-38 10 H1_Day a53046hl + + - + + + + Ref DC-A12C-CAT-RP-t38-42 Group Leigh_D
37 17:31:12 20260525-1212-B400_B.11-37 10 C13_CPD_Night1024 z88883sp + + - + + + + Ref SP426 Group Romanov_A Even more conc sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 14:19:15 20260525-1418-B400_B.11-38 10 H1_Day a53046hl + + - + + + + Ref ph-707-cc Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 11:59:59 20260525-1148-B400_B.11-35 10 H1_Day a53046hl + + - + + + + Ref ph-708-fuel Group Leigh_D
34 11:56:49 20260525-1148-B400_B.11-34 10 H1_Day a53046hl + + - + + + + Ref ph-706-fuel Group Leigh_D
33 11:53:39 20260525-1148-B400_B.11-33 10 H1_Day a53046hl + + - + + + + Ref ph-702-bromo-fuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 11:50:00 20260525-1147-B400_B.11-32 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 02:18:42 20260524-1614-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 34h Group Leigh_D ALF159 fuelled 34h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 02:13:55 20260524-1617-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref JaS_DD_11_B_4 fuelled 2 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 00:12:49 20260524-2256-B400_B.11-51 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-677 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 23:37:58 20260524-2256-B400_B.11-51 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-677 Group Procter_D
51 23:22:44 20260524-2256-B400_B.11-51 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-677 Group Procter_D
51 23:18:23 20260524-2256-B400_B.11-51 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-677 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 23:04:06 20260524-2256-B400_B.11-51 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-677 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 22:58:05 20260524-2256-B400_B.11-51 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-677 Group Procter_D
51 19:48:42 20260524-1947-B400_B.11-51 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-195-PMA-s4-be washed by methanol Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 17:28:53 20260524-1712-B400_B.11-20 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-CL2-XHD1-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 17:17:17 20260524-1712-B400_B.11-20 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-CL2-XHD1-drops of THF Group Liddle_S
20 17:13:26 20260524-1712-B400_B.11-20 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-CL2-XHD1-drops of THF Group Liddle_S
11 17:06:55 20260524-1703-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALPH new S-DMAP 2 Group Leigh_D ALPH new S-DMAP 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 17:03:32 20260524-1702-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALP3PdCl2 end prod Group Leigh_D ALP3PdCl2 end prod sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 17:03:05 20260524-1702-B400_B.11-10 10 H1_Day z92209cg - - - - - - - Ref ALP3PdCl2 end prod Group Leigh_D ALP3PdCl2 end prod Automation was stopped by user
9 16:21:34 20260524-1614-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 24h Group Leigh_D ALF159 fuelled 24h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 16:17:53 20260524-1617-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref JaS_DD_11_B_4 fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:11:07 20260524-1009-B400_B.11-8 10 H1_Day a53046hl + + - + + + + Ref JAS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 04:48:24 20260522-2348-B400_B.11-2 35 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-674 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
7 04:13:32 20260522-2348-B400_B.11-2 34 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-674 Group Procter_D
7 03:58:19 20260522-2348-B400_B.11-2 33 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-674 Group Procter_D
7 03:53:57 20260522-2348-B400_B.11-2 32 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-674 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:39:41 20260522-2348-B400_B.11-2 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-674 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:34:00 20260522-2348-B400_B.11-2 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-674 Group Procter_D
6 01:31:15 20260522-2348-B400_B.11-2 20 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 00:56:23 20260522-2348-B400_B.11-2 19 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D
6 00:41:10 20260522-2348-B400_B.11-2 18 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D
6 00:36:49 20260522-2348-B400_B.11-2 17 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 00:22:32 20260522-2348-B400_B.11-2 16 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 00:16:39 20260522-2348-B400_B.11-2 15 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-671-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 23:10:11 20260523-2205-B400_B.11-28 32 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-672-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 23:03:08 20260523-2205-B400_B.11-28 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-672-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 22:58:44 20260523-2236-B400_B.11-31 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 7h Group Leigh_D ALF159 fuelled 7h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 22:44:28 20260523-2205-B400_B.11-28 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-672-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 22:38:05 20260523-2205-B400_B.11-28 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-672-1 Group Procter_D
29 22:23:48 20260523-2205-B400_B.11-28 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-672-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 22:19:19 20260523-2205-B400_B.11-28 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-672-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 22:13:55 20260523-2205-B400_B.11-28 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-672-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 22:09:36 20260523-2104-B400_B.11-27 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 6h Group Leigh_D ALF159 fuelled 6h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 22:05:03 20260523-2056-B400_B.11-26 10 H1_Night f56027ch + + - + + + + Ref 20260523 Br py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 21:51:17 20260523-2022-B400_B.11-25 10 H1_Night128 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-s1-methanol washing Group De bo_G
24 20:22:14 20260523-2021-B400_B.11-24 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-s1-120min Group De bo_G
23 20:07:40 20260523-2006-B400_B.11-23 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 19:57:27 20260523-1448-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF158 fuelled 4h Group Leigh_D ALF158 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 19:54:02 20260523-1449-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 4h Group Leigh_D ALF159 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 18:55:07 20260523-1449-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 3h Group Leigh_D ALF159 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 18:51:33 20260523-1448-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF158 fuelled 3h Group Leigh_D ALF158 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 18:08:42 20260523-1448-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF158 fuelled 2h Group Leigh_D ALF158 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 18:05:14 20260523-1449-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 2h Group Leigh_D ALF159 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 17:35:40 20260523-1449-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 1h30 Group Leigh_D ALF159 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 17:31:27 20260523-1448-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF158 fuelled 1h30 Group Leigh_D ALF158 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 17:24:01 20260523-1717-B400_B.11-22 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-DMSO Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:19:39 20260523-1636-B400_B.11-21 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-unknown Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:15:08 20260523-1636-B400_B.11-21 10 H1_Day16 a74776dr + + - + + + + Ref DJP-DR-unknown Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 17:10:27 20260523-1639-B400_B.11-22 10 H1_Night f56027ch + + - + + + + Ref 20260523 deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 16:53:52 20260523-1636-B400_B.11-21 11 C13_CPD_Night256 a74776dr + + - + + + + Ref DJP-DR-unknown Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 16:50:23 20260523-1449-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF159 fuelled 45 min Group Leigh_D ALF159 fuelled 45 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 16:45:58 20260523-1448-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF158 fuelled 45min Group Leigh_D ALF158 fuelled 45min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:52:13 20260523-1323-B400_B.11-18 11 C13_CPD_Night1024 e72206ov - + - - - + + Ref ov-010.6-d, col x2, prep x1, final prod Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:47:38 20260523-1323-B400_B.11-18 10 H1_Night e72206ov + + - + + + + Ref ov-010.6-d, col x2, prep x1, final prod Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 15:43:15 20260523-1537-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref ALF159 prefuel Group Leigh_D ALF159 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 15:06:00 20260523-1323-B400_B.11-17 14 H1_C13_HMBC_Night e72206ov + + - + + + + Ref ov-011-e, 24h vac for full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 15:02:22 20260523-1449-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF158 prefuel Group Leigh_D 0.5 eq of P3PtCl2 (stock solution test) sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 14:58:05 20260523-1448-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 72h Group Leigh_D ALF154 fuelled 72h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 14:42:44 20260523-1323-B400_B.11-17 13 H1_C13_HSQC_Night e72206ov - + - - - + + Ref ov-011-e, 24h vac for full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
17 14:26:59 20260523-1323-B400_B.11-17 12 H1_COSY_HiRes_Night e72206ov + + - + + + + Ref ov-011-e, 24h vac for full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
4 14:22:19 20260523-0906-B400_B.11-4 11 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 13:28:28 20260523-1323-B400_B.11-17 11 C13_CPD_Night1024 e72206ov - + - - - + + Ref ov-011-e, 24h vac for full Group De bo_G
17 13:23:49 20260523-1323-B400_B.11-17 10 H1_Night e72206ov + + - + + + + Ref ov-011-e, 24h vac for full Group De bo_G
5 12:37:43 20260523-1230-B400_B.11-5 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-437workedup Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5 12:31:20 20260523-1230-B400_B.11-5 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-437workedup Group Larrosa_I
4 09:07:54 20260523-0906-B400_B.11-4 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 06:06:20 20260523-0602-B400_B.11-3 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-437a Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 05:52:52 20260522-2348-B400_B.11-2 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 05:18:01 20260522-2348-B400_B.11-2 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D
2 05:02:48 20260522-2348-B400_B.11-2 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D
2 04:54:52 20260522-2348-B400_B.11-2 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-671-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 04:50:35 20260522-1747-B400_B.11-10 1060201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-06 Group Abbenseth_J JA-CD-I-06 tBu Xanth Br recry
8 04:36:19 20260523-0324-B400_B.11-8 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-671-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 04:31:25 20260523-0324-B400_B.11-8 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-671-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:02:27 20260522-1742-B400_B.11-7 10 H1_Night1024 j83970qc + + - + + + + Ref qc e827 ps Group De bo_G
6 02:58:46 20260522-1738-B400_B.11-6 10 H1_Day f09303eg + + - + + + + Ref The white one Group Webb_S
5 02:55:09 20260522-1738-B400_B.11-5 10 H1_Day f09303eg + + - + + + + Ref The brown one Group Webb_S
58 02:17:33 20260522-1724-B400_B.11-58 14 H1_C13_HMBC_Night y52364mw + + - + + + + Ref GDB-MJ-D1-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 02:03:00 20260522-2348-B400_B.11-2 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-671-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 01:56:57 20260522-2348-B400_B.11-2 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-671-2 Group Procter_D
58 01:41:35 20260522-1724-B400_B.11-58 13 H1_C13_HSQC_Night y52364mw - + - - - + + Ref GDB-MJ-D1-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
58 01:28:07 20260522-1724-B400_B.11-58 12 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-D1-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
58 00:34:00 20260522-1724-B400_B.11-58 11 C13_CPD_Night1024 y52364mw - + - - - + + Ref GDB-MJ-D1-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 00:29:21 20260522-1724-B400_B.11-58 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D1-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 00:21:58 20260522-2339-B400_B.11-1 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-estronerxn Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 22:52:29 20260522-1724-B400_B.11-57 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-90min Group De bo_G
4 22:49:40 20260522-1720-B400_B.11-4 1691001 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1691001 Group Abbenseth_J SiRi169 SbCyNNN IodobenzeneCF3 in DFB after 1 night 595nm 1 week ambient 2 days 550nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
3 22:47:49 20260522-1719-B400_B.11-3 1681002 F19_NoCPD_Day w05220ss - + - - - + + Ref 1681001 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 xs in C6D6 after 1 night 595nm 1 week ambient 2 days 550nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
3 22:44:43 20260522-1719-B400_B.11-3 1681001 H1_Day w05220ss + + - + + + + Ref 1681001 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 xs in C6D6 after 1 night 595nm 1 week ambient 2 days 550nm
2 22:42:44 20260522-1718-B400_B.11-2 1671002 H1_Day w05220ss - + - - - + + Ref JA-SiRi-I-1671001 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm 1 week ambient 2 days 550nm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 22:38:57 20260522-1718-B400_B.11-2 1671001 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1671001 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm 1 week ambient 2 days 550nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
52 22:11:36 20260522-1641-B400_B.11-52 19 C13_DEPT90_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 21:58:06 20260522-1641-B400_B.11-52 18 H1_COSY_HiRes_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 21:55:52 20260522-1641-B400_B.11-52 17 H1_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G
52 21:40:31 20260522-1641-B400_B.11-52 16 H1_C13_HSQC_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 21:05:20 20260522-1641-B400_B.11-52 15 H1_C13_HMBC_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 20:52:37 20260522-1641-B400_B.11-52 14 H1_NOESY_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 20:45:44 20260522-1641-B400_B.11-52 13 H1_Quant_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G
52 20:18:26 20260522-1641-B400_B.11-52 12 C13_DEPT135_Night x06125gb - + - - - + + Ref RK20-P3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 20:00:58 20260522-1641-B400_B.11-52 11 C13_CPD_Night256 x06125gb + + - + + + + Ref RK20-P3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 19:59:45 20260522-1857-B400_B.11-13 11 H1_Day a53046hl - + - - - + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 19:54:56 20260522-1857-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 19:50:54 20260522-1857-B400_B.11-12 10 H1_Day16 a53046hl + + - + + + + Ref JaS_1_10eq Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 19:46:17 20260522-1856-B400_B.11-11 10 H1_Day16 a53046hl + + - + + + + Ref JaS_1_1eq Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 18:48:25 20260522-1607-B400_B.11-22 10 C13_CPD_Night1024 c62220rg + + - + + + + Ref at-rg-6-70-p1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 18:44:49 20260522-1744-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF157 fuelled 4h30 Group Leigh_D ALF157 fuelled 4h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 18:39:59 20260522-1743-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 41h Group Leigh_D ALF154 fuelled 41h, water added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 17:41:06 20260522-1118-B400_B.11-46 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-826-prep Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 17:40:42 20260522-1716-B400_B.11-56 10 H1_Night w52164bc x - - - - - - Ref BC-11-223 P2 Group James_M WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.56'.
55 17:40:12 20260522-1715-B400_B.11-55 10 H1_Night w52164bc - - - - - - - Ref BC-11-223 P1 Group James_M
54 17:35:38 20260522-1707-B400_B.11-54 10 H1_Day z92209cg + + - + + + + Ref ALF157 fuelled 4h Group Leigh_D ALF157 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 16:59:09 20260522-1641-B400_B.11-52 10 H1_WaterSupp_Night x06125gb + + - + + + + Ref RK20-P3 Group Crisenza_G
25 16:42:30 20260522-1613-B400_B.11-25 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-I-XHD1-1stcycle-drops of TH Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 16:37:53 20260522-1629-B400_B.11-27 10 H1_Day16 f56027ch + + - + + + + Ref 20260518 Br py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 16:34:14 20260522-1627-B400_B.11-26 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-48C Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 16:22:38 20260522-1613-B400_B.11-25 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-I-XHD1-1stcycle-drops of TH Group Liddle_S
25 16:19:13 20260522-1613-B400_B.11-25 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I-XHD1-1stcycle-drops of TH Group Liddle_S
21 16:14:22 20260522-1605-B400_B.11-21 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-66-p1 Group Trowbridge_A
20 16:12:25 20260522-1605-B400_B.11-20 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-rec cat Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
20 16:07:17 20260522-1605-B400_B.11-20 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-rec cat Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 16:02:57 20260522-1556-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF157 fuelled 2h30 Group Leigh_D ALF157 fuelled 2h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:58:59 20260522-1555-B400_B.11-18 10 H1_Day m52750pm + + - + + + + Ref GC_MP64_column Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 15:54:32 20260522-1552-B400_B.11-17 10 H1_Day m52750pm + + - + + + + Ref GC_MP71+is Group Crisenza_G
11 15:28:27 20260522-1520-B400_B.11-11 3050433 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-05 Group Abbenseth_J JA-SiS-II-05 P(NNN) 450 nm 5h - 31P pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260522-1520-B400_B.11-11/3050433/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260522-1520-B400_B.11-11/3050433/pdata/1/peaks!
11 15:27:02 20260522-1520-B400_B.11-11 3050432 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-05 Group Abbenseth_J JA-SiS-II-05 P(NNN) 450 nm 5h - 31P
11 15:23:44 20260522-1520-B400_B.11-11 3050431 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-II-05 Group Abbenseth_J JA-SiS-II-05 P(NNN) 450 nm 5h - 31P{1H}
10 15:19:23 20260522-1518-B400_B.11-10 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:03:09 20260522-1329-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 37h30, 2%H2O added Group Leigh_D ALF154 fuelled 37h30, 1h30 after 2%H2O added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 14:58:42 20260522-1329-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF157 fuelled 1h30 Group Leigh_D ALF157 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 14:07:21 20260522-1405-B400_B.11-59 10 H1_Day b19299kh x - - - - - - Ref STL-XLD-I2-XHD1-1stscycle-drops of THF Group Liddle_S WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
60 14:05:01 20260522-1404-B400_B.11-60 10 H1_Day b19299kh x - - - - - - Ref STL-XLD-I2-XHD1-1stcycle-drops of THF Group Liddle_S WebService Error: 103.310.193:System Error:Transfer of sample '1.60' from Sample Changer (0) to Magnet (1) failed. Reason: 117.310.242:Insert Failed:The sample seems to be stucked as it comes neither up nor down.
10 13:50:57 20260522-1329-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF157 fuelled 30 min Group Leigh_D ALF157 fuelled 30 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 13:47:27 20260522-1345-B400_B.11-7 10 H1_Day a53046hl + + - + + + + Ref ph-708-fuel Group Leigh_D 13:20 22may
11 13:34:18 20260522-1329-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 36h, 2%H2O added Group Leigh_D ALF154 fuelled 36h, 2%H2O added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 13:29:52 20260522-1329-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF157 fuelled 5 min Group Leigh_D ALF157 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 13:15:55 20260522-1309-B400_B.11-38 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 13:10:47 20260522-1309-B400_B.11-37 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 12:51:47 20260522-1250-B400_B.11-51 10 H1_Day16 k48162ck + + - + + + + Ref 4-tBu-pyranhc-aucl-MW Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 12:44:25 20260522-1240-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF157 prefuel Group Leigh_D ALF157 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:39:34 20260522-1238-B400_B.11-3 10 H1_Day16 p13528bg + + - + + + + Ref BG-015b) 21h crude Group De bo_G
48 12:12:48 20260522-1137-B400_B.11-48 15 H1_NOESY_Night x06125gb - + - - - + + Ref RK20-PF-NOESY Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
48 12:08:00 20260522-1137-B400_B.11-48 14 H1_Night x06125gb + + - + + + + Ref RK20-PF-Si Group Crisenza_G
50 12:03:57 20260522-1148-B400_B.11-49 20 H1_Day x06125gb + + - + + + + Ref GCGB456F3 Group Crisenza_G
49 11:59:33 20260522-1148-B400_B.11-49 10 H1_Day x06125gb + + - + + + + Ref GCGB456F2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 11:56:49 20260522-1137-B400_B.11-48 13 Si29_NoCPD_Day x06125gb - + - - - + + Ref RK20-PF-Si Group Crisenza_G sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Crisenza_G/data/x06125gb/nmr/20260522-1137-B400_B.11-48/13/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Crisenza_G/data/x06125gb/nmr/20260522-1137-B400_B.11-48/13/pdata/1/peaks!
48 11:53:07 20260522-1137-B400_B.11-48 12 Si29_CPD_Day x06125gb - + - - - + + Ref RK20-PF-Si Group Crisenza_G sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Crisenza_G/data/x06125gb/nmr/20260522-1137-B400_B.11-48/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Crisenza_G/data/x06125gb/nmr/20260522-1137-B400_B.11-48/12/pdata/1/peaks!
48 11:47:14 20260522-1137-B400_B.11-48 11 H1_COSY_Day x06125gb - + - - - + + Ref RK20-PF-COSY Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
48 11:42:38 20260522-1137-B400_B.11-48 10 H1_Wide_Day x06125gb + + - + + + + Ref RK20-PF-COSY Group Crisenza_G
47 11:30:04 20260522-1126-B400_B.11-47 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 33h Group Leigh_D ALF154 fuelled 33h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 11:24:47 20260522-1118-B400_B.11-46 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-826-prep Group Greaney_M
45 11:19:04 20260522-1112-B400_B.11-45 10 H1_Day16 a53046hl + + - + + + + Ref JaS_CSB_1_SEC_lastfraction Group Leigh_D
44 11:14:23 20260522-1112-B400_B.11-44 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 10:41:45 20260522-1035-B400_B.11-32 3050233 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) 450nm 1h - 31P pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260522-1035-B400_B.11-32/3050233/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260522-1035-B400_B.11-32/3050233/pdata/1/peaks!
32 10:40:19 20260522-1035-B400_B.11-32 3050232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) 450nm 1h - 31P
32 10:37:17 20260522-1035-B400_B.11-32 3050231 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-III-05 Group Abbenseth_J JA-SiS-III-05 P(NNN) 450nm 1h - 31P{1H}
31 09:41:12 20260522-0939-B400_B.11-31 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_9_flask_18 Group Leigh_D
30 09:27:28 20260522-0926-B400_B.11-30 10 H1_Day a53046hl + + - + + + + Ref ph-706-fuel Group Leigh_D fuel 9:20 am 22 may
16 09:04:56 20260522-0859-B400_B.11-16 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:01:03 20260522-0857-B400_B.11-15 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-47B Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 08:57:10 20260522-0856-B400_B.11-14 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-47A Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 06:24:59 20260521-2358-B400_B.11-10 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-670-2+3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 06:18:26 20260521-2358-B400_B.11-10 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-670-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 06:16:29 20260521-1848-B400_B.11-43 11 C13_CPD_Day j45159ks - + - - - + + Ref lactonecol3 Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 06:09:59 20260521-1848-B400_B.11-43 10 H1_Day16 j45159ks + + - + + + + Ref lactonecol3 Group Keerthi_A
42 06:08:05 20260521-1847-B400_B.11-42 11 C13_CPD_Day j45159ks - + - - - + + Ref lactonecol2 Group Keerthi_A sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Keerthi_A/data/j45159ks/nmr/20260521-1847-B400_B.11-42/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Keerthi_A/data/j45159ks/nmr/20260521-1847-B400_B.11-42/11/pdata/1/peaks No peak is found in the specified ranges!
42 06:01:58 20260521-1847-B400_B.11-42 10 H1_Day16 j45159ks + + - + + + + Ref lactonecol2 Group Keerthi_A
41 06:00:03 20260521-1847-B400_B.11-41 11 C13_CPD_Day j45159ks - + - - - + + Ref lactonecol1 Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 05:55:16 20260521-1847-B400_B.11-41 10 H1_Day16 j45159ks + + - + + + + Ref lactonecol1 Group Keerthi_A
40 04:26:06 20260521-1810-B400_B.11-40 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-PS-60min Group De bo_G
29 03:58:51 20260521-1759-B400_B.11-25 54 C13_DEPT135_Night x06125gb - + - - - + + Ref RK20-P1 Group Crisenza_G
29 03:43:30 20260521-1759-B400_B.11-25 53 H1_C13_HSQC_Night x06125gb - + - - - + + Ref RK20-P1 Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
29 03:08:21 20260521-1759-B400_B.11-25 52 H1_C13_HMBC_Night x06125gb - + - - - + + Ref RK20-P1 Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
29 03:06:08 20260521-1759-B400_B.11-25 51 H1_Night x06125gb - + - - - + + Ref RK20-P1 Group Crisenza_G
29 02:49:43 20260521-1759-B400_B.11-25 50 C13_CPD_Night256 x06125gb + + - + + + + Ref RK20-P1 Group Crisenza_G
28 02:45:29 20260521-1759-B400_B.11-25 40 H1_Day x06125gb + + - + + + + Ref RK25-C Group Crisenza_G
27 02:42:19 20260521-1759-B400_B.11-25 30 H1_Day x06125gb + + - + + + + Ref RK24-C Group Crisenza_G
26 02:39:04 20260521-1759-B400_B.11-25 20 H1_Day x06125gb + + - + + + + Ref RK23-C Group Crisenza_G
25 02:35:20 20260521-1759-B400_B.11-25 10 H1_Day x06125gb + + - + + + + Ref RK22-C Group Crisenza_G
22 02:30:08 20260521-1753-B400_B.11-22 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f2-3 d Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 01:36:23 20260521-1751-B400_B.11-23 11 C13_CPD_Night1024 k48162ck - + - - - + + Ref CCC Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 01:30:19 20260521-1751-B400_B.11-23 10 C13_CPD_Day k48162ck + + - + + + + Ref CCC Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 01:02:56 20260521-1713-B400_B.11-21 14 C13_DEPT90_Night w61916tz - + - - - + + Ref sy-tz-9-20260518b-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 00:44:41 20260521-1713-B400_B.11-21 13 H1_C13_HSQC_Night w61916tz + + - + + + + Ref sy-tz-9-20260518b-hsqc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
11 00:30:25 20260521-2358-B400_B.11-10 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-670-2+3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 00:26:01 20260521-2358-B400_B.11-10 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-670-2+3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 00:11:45 20260521-2358-B400_B.11-10 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-670-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 00:07:19 20260521-2358-B400_B.11-10 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-670-1 Group Procter_D
9 23:32:10 20260521-1601-B400_B.11-9 15 H1_C13_HMBC_Night w52164bc - + - - - + + Ref BC-11-221 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 23:16:49 20260521-1601-B400_B.11-9 14 H1_C13_HSQC_Night w52164bc - + - - - + + Ref BC-11-221 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 23:03:23 20260521-1601-B400_B.11-9 13 H1_COSY_HiRes_Night w52164bc - + - - - + + Ref BC-11-221 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 22:49:07 20260521-1601-B400_B.11-9 12 C13_CPD_Night256 w52164bc - + - - - + + Ref BC-11-221 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 22:43:22 20260521-1601-B400_B.11-9 11 H1_Night w52164bc + + - + + + + Ref BC-11-221 Group James_M
11 22:35:21 20260521-2157-B400_B.11-11 10 H1_Night w61916tz + + - + + + + Ref sy-tz-11-20260519b-1h-cdcl3 Group Yang_S
10 22:30:15 20260521-2156-B400_B.11-10 10 H1_Night w61916tz + + - + + + + Ref sy-tz-10-20260519b-1h-rec Group yang
5 21:32:20 20260521-1542-B400_B.11-5 10 C13_CPD_Night1024 c62220rg + + - + + + + Ref at-rg-6-otfe Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 21:27:38 20260521-2053-B400_B.11-6 10 H1_Night f56027ch + + - + + + + Ref 20260521 Zn disalen solid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 20:30:40 20260521-1542-B400_B.11-4 10 C13_CPD_Night1024 c62220rg + + - + + + + Ref at-rg-6-90-p1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 20:25:50 20260521-1612-B400_B.11-12 11 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 19:28:45 20260521-1440-B400_B.11-36 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref djp-oc-1155-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 19:24:18 20260521-1854-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF156 fuelled 4h30 Group Leigh_D ALF156 fuelled 4h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 18:45:55 20260520-1821-B400_B.11-34 1040205 H1_C13_HMBC_Night w05220ss + + - + + + + Ref JA-CD-I-04 Group Abbenseth_J JA-CD-I-04 Open-Br2 - FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 18:40:49 20260521-1810-B400_B.11-39 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-unknow Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 18:02:45 20260520-1819-B400_B.11-33 1020205 H1_C13_HMBC_Night w05220ss + + - + + + + Ref JA-CD-I-02 Group Abbenseth_J JA-CD-I-02 Xan-tBu - FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 17:58:31 20260521-1755-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF156 fuelled 3h Group Leigh_D ALF156 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 17:53:55 20260521-1657-B400_B.11-19 20 H1_Night p13528bg + + - + + + + Ref BG-022 heat test- not heated 4h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 17:49:16 20260521-1657-B400_B.11-19 10 H1_Night p13528bg + + - + + + + Ref BG-022 heat test- heated 4h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:34:55 20260521-1713-B400_B.11-21 12 C13_CPD_Night256 w61916tz - + - - - + + Ref sy-tz-9-20260518b-cpd Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:26:48 20260521-1713-B400_B.11-21 11 H1_Night w61916tz + + - + + + + Ref sy-tz-9-20260518b-1h-night Group Yang_S
22 17:22:19 20260521-1716-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALF156 fuelled 2h15 Group Leigh_D ALF156 fuelled 2h15 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:17:13 20260521-1713-B400_B.11-21 10 H1_Day w61916tz + + - + + + + Ref sy-tz-9-20260518b-1h Group Yang_S
60 16:55:37 20260521-1610-B400_B.11-60 10 H1_Day b19299kh x - - - - - - Ref STL-XLD-Na2CbtMS-I2-supertanant-neat C6D6 Group Liddle_S WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
18 16:50:17 20260521-1647-B400_B.11-18 10 C13_CPD_Day k48162ck x - - - - - - Ref CCC Group Romanov_A WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
17 16:49:12 20260521-1644-B400_B.11-17 10 H1_Day j26946hi - - - - - - - Ref AT-HI-1-65 Group Trowbridge_A
16 16:44:46 20260521-1631-B400_B.11-16 10 H1_Day z92209cg + + - + + + + Ref ALF156 fuelled 1h30 Group Leigh_D ALF156 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 16:39:31 20260521-1631-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref GCU-Ar-004-check Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 16:32:18 20260521-1630-B400_B.11-14 10 H1_Day z92209cg + + - + + + + Ref GCU-004-pure-check Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 16:26:38 20260521-1619-B400_B.11-13 11 H1_Day16 h32367lm + + - + + + + Ref lmdc-alktest1h Group Leigh_D
12 16:22:01 20260521-1612-B400_B.11-12 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 16:19:58 20260521-1608-B400_B.11-11 11 F19_NoCPD_Day h32367lm - + - - - + + Ref LMMCpf6fuelled2h Group Leigh_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11 16:15:42 20260521-1608-B400_B.11-11 10 H1_Day16 h32367lm + + - + + + + Ref LMMCpf6fuelled2h Group Leigh_D
10 16:09:53 20260521-1602-B400_B.11-10 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-223 crude Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 16:04:44 20260521-1601-B400_B.11-9 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-221 Group James_M
8 16:00:03 20260521-1553-B400_B.11-8 1060101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-06 Group Abbenseth_J JA-CD-I-06 Xanth tBu Br crude
6 15:57:54 20260521-1549-B400_B.11-6 11 F19_NoCPD_Day k48162ck - + - - - + + Ref carbene(C^C^C)-Au-OAcF-19F Group Romanov_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
6 15:50:55 20260521-1549-B400_B.11-6 10 H1_Day16 k48162ck + + - + x + + Ref carbene(C^C^C)-Au-OAcF Group Romanov_A topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:44:08 20260521-1538-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF156 fuelled 40min Group Leigh_D ALF156 fuelled 40min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 15:41:53 20260521-1536-B400_B.11-1 11 C13_CPD_Day j26946hi - + - - - + + Ref AT-HI-1-66 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 15:37:35 20260521-1536-B400_B.11-1 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-66 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 15:16:39 20260521-1515-B400_B.11-38 10 H1_Day z92209cg + + - + + + + Ref ALF156 fuelled 5 min Group Leigh_D ALF156 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 15:04:27 20260521-1440-B400_B.11-36 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1155-ac Group Procter_D
37 14:58:39 20260521-1448-B400_B.11-37 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-acidchloride Group Larrosa_I
35 14:44:17 20260521-1438-B400_B.11-35 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1156-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 14:39:22 20260521-1438-B400_B.11-35 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1156-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:33:21 20260521-1430-B400_B.11-53 10 H1_Day16 p13528bg + + - + + + + Ref BG-022 p-anisidine Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:28:51 20260521-1421-B400_B.11-52 10 H1_Day a53046hl + + - + + + + Ref JaS_D_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 14:25:09 20260521-1418-B400_B.11-51 10 H1_Day a53046hl + + - + + + + Ref exc241-fc-suzuki Group Leigh_D exc241-fc-suzuki
50 14:20:08 20260521-1412-B400_B.11-49 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-156b Group Procter_D
49 14:15:04 20260521-1412-B400_B.11-49 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-156a Group Procter_D
48 14:10:38 20260521-1344-B400_B.11-48 10 H1_Day z92209cg + + - + + + + Ref ALF156 prefuel Group Leigh_D ALF156 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 14:08:34 20260521-1313-B400_B.11-45 31 F19_NoCPD_Day m02382ac - + - - - + + Ref 12 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
47 14:05:12 20260521-1313-B400_B.11-45 30 H1_Day m02382ac + + - + + + + Ref 12 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 14:03:10 20260521-1313-B400_B.11-45 21 F19_NoCPD_Day m02382ac - + - - - + + Ref 11 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
46 13:59:46 20260521-1313-B400_B.11-45 20 H1_Day m02382ac + + - + + + + Ref 11 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 13:57:52 20260521-1313-B400_B.11-45 11 F19_NoCPD_Day m02382ac - + - - - + + Ref 10 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
45 13:54:09 20260521-1313-B400_B.11-45 10 H1_Day m02382ac + + - + + + + Ref 10 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 13:49:21 20260521-1254-B400_B.11-42 30 H1_Day x06125gb + + - + + + + Ref RK20-P3 Group Crisenza_G
43 13:44:49 20260521-1254-B400_B.11-42 20 H1_Day x06125gb + + - + + + + Ref RK20-P2 Group Crisenza_G
42 13:40:01 20260521-1254-B400_B.11-42 10 H1_Day16 x06125gb + + - + + + + Ref RK20-P1 Group Crisenza_G
40 13:34:32 20260521-1333-B400_B.11-40 10 H1_Day16 z92209cg + + - + + + + Ref SX1-3B-quenched-1H Group Leigh_D
38 13:29:06 20260521-1301-B400_B.11-38 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-221 F40-62 Group James_M
37 13:23:42 20260521-1300-B400_B.11-37 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-221 F27-39 Group James_M
36 13:17:46 20260521-1300-B400_B.11-36 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-221 F20-26 Group James_M
35 13:13:23 20260521-1259-B400_B.11-35 10 H1_Day u67812sg + + - + + + + Ref sq-2-44-4-1h Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 13:09:20 20260521-1258-B400_B.11-31 10 H1_Day u67812sg + + - + + + + Ref sq-2-44-3-1h Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:05:33 20260521-1258-B400_B.11-30 10 H1_Day u67812sg + + - + + + + Ref sq-2-44-2-1h Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 13:00:28 20260521-1257-B400_B.11-29 10 H1_Day u67812sg + + - + + + + Ref sq-2-44-1-1h Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 12:58:24 20260521-1245-B400_B.11-28 11 F19_NoCPD_Day h32367lm - + - - - + + Ref MCNH2PF6+Et3N Group Leigh_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
28 12:54:05 20260521-1245-B400_B.11-28 10 H1_Day16 h32367lm + + - + + + + Ref MCNH2PF6+Et3N Group Leigh_D
27 12:49:58 20260521-1234-B400_B.11-27 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 12:47:12 20260521-1203-B400_B.11-26 1690901 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1690901 Group Abbenseth_J SiRi169 SbCyNNN IodobenzeneCF3 in DFB after 1 night 595nm 1 week ambient 1 night 550nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
25 12:44:42 20260521-1202-B400_B.11-25 1680901 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRI-I-1680901 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm 1 week ambient 1 night 550nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
24 12:42:00 20260521-1200-B400_B.11-24 1670901 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1670901 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm 1 week ambient 1 night 550nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
23 12:37:18 20260521-1150-B400_B.11-23 10 H1_Day z92209cg + + - + + + + Ref ALF153 24h fuelled after H2O add Group Leigh_D ALF153 24h fuelled after 15% H2O add sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 12:33:33 20260521-1144-B400_B.11-22 10 H1_Day x06125gb + + - + + + + Ref GCGB464Cr Group Crisenza_G
24 12:18:37 20260521-1200-B400_B.11-24 1670901 F19_NoCPD_Day w05220ss x - - - - - - Ref JA-SiRi-I-1670901 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm 1 week ambient 1 night 550nm WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
23 12:13:18 20260521-1150-B400_B.11-23 10 H1_Day z92209cg x - - - - - - Ref ALF153 24h fuelled after H2O add Group Leigh_D ALF153 24h fuelled after 15% H2O add WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
22 12:12:13 20260521-1144-B400_B.11-22 10 H1_Day x06125gb - - - - - - - Ref GCGB464Cr Group Crisenza_G
21 12:08:43 20260521-1146-B400_B.11-21 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F9 Group Riddell_I
20 12:04:23 20260521-1145-B400_B.11-20 10 F19_NoCPD_Day w52164bc + + - + + + + Ref BC-11-219 Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
19 11:59:40 20260521-1145-B400_B.11-19 10 F19_NoCPD_Day w52164bc + + - + + + + Ref BC-11-223 Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
18 11:54:57 20260521-1142-B400_B.11-16 30 H1_Day x06125gb + + - + + + + Ref GCGB463Cr Group Crisenza_G
17 11:49:41 20260521-1142-B400_B.11-16 20 H1_Day x06125gb + + - + + + + Ref GCGB430Col Group Crisenza_G
16 11:45:17 20260521-1142-B400_B.11-16 10 H1_Day x06125gb + + - + + + + Ref GCGB456F10-Flush Group Crisenza_G
15 11:32:39 20260521-1120-B400_B.11-15 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-65 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 11:29:27 20260521-1112-B400_B.11-14 10 H1_Day a53046hl + + - + + + + Ref ph-702-bromo-fuel Group Leigh_D 21 may sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 11:26:18 20260521-1111-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D 21 may sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 11:22:50 20260521-1110-B400_B.11-12 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D
11 11:17:55 20260521-1104-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF153 23h fuelled after H2O add Group Leigh_D ALF153 fuelled 23h after 25micl H2O add sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 11:13:51 20260521-1052-B400_B.11-10 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1156-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 11:09:20 20260521-1052-B400_B.11-9 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1155-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 11:04:56 20260521-1049-B400_B.11-8 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:59:06 20260521-1048-B400_B.11-6 10 H1_Day16 a53046hl + + - + + + + Ref JaS_FeM_38_on Group Leigh_D
5 10:54:42 20260521-1044-B400_B.11-4 20 H1_Day16 p13528bg + + - + + + + Ref BG-022 Heat test - no heat Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 10:50:31 20260521-1044-B400_B.11-4 10 H1_Day16 p13528bg + + - + + + + Ref BG-022 Heat test - heated Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:48:35 20260521-1043-B400_B.11-2 11 C13_CPD_Day f11141tm - + - - - + + Ref H2SED by Apollo CNMR ns64 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:44:08 20260521-1043-B400_B.11-2 10 H1_Day16 f11141tm + + - + + + + Ref H2SED by Apollo HNMR ns16 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 10:28:23 20260521-1007-B400_B.11-39 30 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155p Group Procter_D
40 10:23:37 20260521-1007-B400_B.11-39 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155o Group Procter_D
39 10:18:36 20260521-1007-B400_B.11-39 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155m Group Procter_D
38 10:15:20 20260521-1003-B400_B.11-38 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F3 Group Riddell_I
37 10:10:32 20260521-1003-B400_B.11-37 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F2 Group Riddell_I
36 10:06:53 20260521-1002-B400_B.11-36 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 22h Group Leigh_D ALF154 fuelled 22h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 10:02:20 20260521-1001-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 22h Group Leigh_D ALF153 fuelled 22h after HPLC sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 09:22:25 20260520-1821-B400_B.11-34 1040204 H1_C13_HSQC_Night w05220ss - + - - - + + Ref JA-CD-I-04 Group Abbenseth_J JA-CD-I-04 Open-Br2 - FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
34 09:08:56 20260520-1821-B400_B.11-34 1040203 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-CD-I-04 Group Abbenseth_J JA-CD-I-04 Open-Br2 - FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
34 08:54:37 20260520-1821-B400_B.11-34 1040202 C13_CPD_Night256 w05220ss - + - - - + + Ref JA-CD-I-04 Group Abbenseth_J JA-CD-I-04 Open-Br2 - FC sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 08:48:48 20260520-1821-B400_B.11-34 1040201 H1_Night w05220ss + + - + + + + Ref JA-CD-I-04 Group Abbenseth_J JA-CD-I-04 Open-Br2 - FC
26 08:44:08 20260520-2207-B400_B.11-26 11 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 08:40:16 20260520-2047-B400_B.11-22 10 H1_Day v98169ls + + - + + + + Ref mfm 300 cr co2 no light Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 08:24:55 20260520-1819-B400_B.11-33 1020204 H1_C13_HSQC_Night w05220ss - + - - - + + Ref JA-CD-I-02 Group Abbenseth_J JA-CD-I-02 Xan-tBu - FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 08:11:26 20260520-1819-B400_B.11-33 1020203 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-CD-I-02 Group Abbenseth_J JA-CD-I-02 Xan-tBu - FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 07:57:02 20260520-1819-B400_B.11-33 1020202 C13_CPD_Night256 w05220ss - + - - - + + Ref JA-CD-I-02 Group Abbenseth_J JA-CD-I-02 Xan-tBu - FC sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 07:52:24 20260520-1819-B400_B.11-33 1020201 H1_Night w05220ss + + - + + + + Ref JA-CD-I-02 Group Abbenseth_J JA-CD-I-02 Xan-tBu - FC
30 06:23:58 20260520-1813-B400_B.11-30 10 H1_Night1024 j83970qc + + - + + + + Ref qc e817-8p Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 04:55:24 20260520-1813-B400_B.11-29 10 H1_Night1024 j83970qc + + - + + + + Ref qc rn click Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 03:26:28 20260520-1711-B400_B.11-47 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-PS-30min Group De bo_G
46 03:24:19 20260520-1705-B400_B.11-46 11 F19_NoCPD_Day h32367lm - + - - - + + Ref MC-ynePF6mecn Group Leigh_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
46 03:19:28 20260520-1705-B400_B.11-46 10 H1_Day16 h32367lm + + - + + + + Ref MC-ynePF6mecn Group Leigh_D
18 02:21:35 20260520-1650-B400_B.11-18 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-818-C2 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 01:24:47 20260520-1540-B400_B.11-28 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref djp-oc-1157-ch-dry Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 01:06:16 20260520-2225-B400_B.11-24 13 H1_C13_HSQC_US_Night a74776dr + + - + + + + Ref DJP-DR-2-(667+668)-1 Group Procter_D
37 00:27:30 20260520-1413-B400_B.11-37 14 H1_C13_HMBC_Night w52164bc + + - + + + + Ref BC-11-221 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 00:12:17 20260520-1242-B400_B.11-19 23 H1_C13_HSQC_US_Night x06125gb - + - - - + + Ref RK13-PF Group Crisenza_G
20 23:37:08 20260520-1242-B400_B.11-19 22 H1_C13_HMBC_Night x06125gb - + - - - + + Ref RK13-PF Group Crisenza_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 23:32:41 20260520-1242-B400_B.11-19 21 H1_Night x06125gb + + - + + + + Ref RK13-PF Group Crisenza_G
24 23:28:19 20260520-2225-B400_B.11-24 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-(667+668)-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 23:14:03 20260520-2225-B400_B.11-24 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-(667+668)-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 23:09:17 20260520-2225-B400_B.11-24 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-(667+668)-1 Group Procter_D
23 22:53:55 20260520-0706-B400_B.11-23 16 H1_C13_HSQC_Night d93111sd - + - - - + + Ref IL-SD-iso-r Group Larrosa_I mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
23 22:51:39 20260520-0706-B400_B.11-23 14 H1_Night d93111sd - + - - - + + Ref IL-SD-iso-r Group Larrosa_I
23 22:18:43 20260520-0706-B400_B.11-23 13 C13_DEPT135_Night d93111sd + + - + x + + Ref IL-SD-iso-r Group Larrosa_I topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 22:14:10 20260520-2207-B400_B.11-26 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 22:10:07 20260520-2151-B400_B.11-25 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 10h Group Leigh_D ALF153 fuelled 10h after HPLC measurements 150micl of MeCN added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 22:05:27 20260520-2151-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 10h Group Leigh_D ALF154 fuelled 10h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 21:05:53 20260520-0706-B400_B.11-23 12 C13_CPD_Night1024 d93111sd + + - + + + + Ref IL-SD-iso-r Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 20:09:04 20260520-0200-B400_B.11-10 10 C13_CPD_Night1024 m09677nb + + - + + + + Ref naph zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 19:54:49 20260519-1904-B400_B.11-8 12 C13_CPD_Night256 m52750pm - + - - - + + Ref GCPM340cr-C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 19:25:09 20260519-1904-B400_B.11-8 11 C13_DEPT135_Night m52750pm + + - + + + + Ref GCPM340cr-D Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 19:19:44 20260520-1900-B400_B.11-31 10 H1_Day a53046hl + + - + + + + Ref JaS_FeM_38_6h Group Leigh_D
1 19:13:49 20260520-1830-B400_B.11-1 10 H1_Night z16689fe + + - + + + + Ref DJP FE Me2N-phenylacetylene Group Procter_D columned sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 19:08:55 20260520-1811-B400_B.11-27 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 19:02:49 20260520-1714-B400_B.11-50 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D4-P3 Group De bo_G
49 18:56:59 20260520-1713-B400_B.11-49 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D4-P2 Group De bo_G
48 18:51:27 20260520-1713-B400_B.11-48 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D4-P1 Group De bo_G
43 18:33:59 20260520-1659-B400_B.11-43 11 C13_CPD_Night256 a74776dr + + - + + + + Ref DJP-DR-2-668-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 18:14:53 20260520-1539-B400_B.11-26 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1162-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 18:08:11 20260520-1538-B400_B.11-25 12 F19_NoCPD_Night h68355ac - + - - - + + Ref djp-oc-1161-ch Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
25 17:50:22 20260520-1538-B400_B.11-25 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1161-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:33:54 20260520-1242-B400_B.11-19 30 C13_CPD_Night256 x06125gb + + - + + + + Ref RK17-PF Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 17:28:18 20260520-1705-B400_B.11-45 10 H1_Day16 h32367lm + + - + + + + Ref JS-DIC-col Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 17:24:05 20260520-1703-B400_B.11-44 11 H1_Day16 h32367lm + + - + + + + Ref DC-PEGCOOH-ene Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:19:02 20260520-1659-B400_B.11-43 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-668-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:15:10 20260520-1659-B400_B.11-43 10 H1_Day a74776dr + + - + + + + Ref DJP-DR-2-668-cr Group Procter_D
42 17:13:03 20260520-1657-B400_B.11-42 12 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-90-pf6 Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
42 17:10:37 20260520-1657-B400_B.11-42 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-90-pf6 Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
42 17:05:08 20260520-1657-B400_B.11-42 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-90-pf6 Group Trowbridge_A
41 17:01:42 20260520-1653-B400_B.11-41 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 5h Group Leigh_D ALF153 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 16:57:28 20260520-1652-B400_B.11-40 10 H1_Day z92209cg + + - + + + + Ref ALF155 fuelled 5h Group Leigh_D ALF155 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 16:48:31 20260520-1645-B400_B.11-39 10 H1_Day16 m69065je + + - + + + + Ref OFF5_plg Group Mills_D
38 16:43:37 20260520-1631-B400_B.11-38 10 H1_Day a53046hl + + - + + + + Ref QBB-G70-2hrs Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 16:28:15 20260520-1413-B400_B.11-37 13 H1_C13_HSQC_Night w52164bc - + - - - + + Ref BC-11-221 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
37 16:11:22 20260520-1413-B400_B.11-37 12 H1_COSY_HiRes_Night w52164bc + + - + + + + Ref BC-11-221 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
34 16:07:31 20260520-1553-B400_B.11-34 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 16:03:22 20260520-1545-B400_B.11-31 10 H1_Day z92209cg + + - + + + + Ref ALF155 fuelled 4h Group Leigh_D ALF155 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 15:59:42 20260520-1544-B400_B.11-30 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 4h Group Leigh_D ALF154 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 15:55:14 20260520-1543-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 4h Group Leigh_D ALF153 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 15:49:52 20260520-1540-B400_B.11-28 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1157-ch-dry Group Procter_D
26 15:45:35 20260520-1539-B400_B.11-26 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1162-ch Group Procter_D
25 15:41:00 20260520-1538-B400_B.11-25 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1161-ch Group Procter_D
24 15:37:44 20260520-1535-B400_B.11-24 10 H1_Day a53046hl + + - + + + + Ref ph-695-pd-crystal Group Leigh_D
22 15:32:59 20260520-1528-B400_B.11-22 10 H1_Day16 z92209cg + + - + + + + Ref SX1-3-quenched Group Leigh_D
20 15:16:32 20260520-1242-B400_B.11-19 20 C13_CPD_Night256 x06125gb + + - + + + + Ref RK13-PF Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 15:11:53 20260520-1450-B400_B.11-43 1020101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-02 Group Abbenseth_J JA-CD-I-02 Xan-tBu after recry EtoAc - 1H
42 15:09:57 20260520-1442-B400_B.11-42 11 C13_CPD_Day m09677nb - + - - - + + Ref biphenyl zk Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 15:04:00 20260520-1442-B400_B.11-42 10 H1_Day16 m09677nb + + - + + + + Ref biphenyl zk Group Greaney_M
41 14:59:49 20260520-1441-B400_B.11-41 10 H1_Day z92209cg + + - + + + + Ref ALF155 fuelled 3h Group Leigh_D ALF155 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 14:56:11 20260520-1440-B400_B.11-40 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 3h Group Leigh_D ALF154 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 14:52:36 20260520-1439-B400_B.11-39 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 3h Group Leigh_D ALF153 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 14:47:54 20260520-1438-B400_B.11-38 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 14:33:32 20260520-1413-B400_B.11-37 11 C13_CPD_Night256 w52164bc - + - - - + + Ref BC-11-221 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 14:28:56 20260520-1413-B400_B.11-37 10 H1_Night w52164bc + + - + + + + Ref BC-11-221 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 14:25:10 20260520-1413-B400_B.11-37 10 H1_Night w52164bc - - - - - - - Ref BC-11-221 Group James_M
38 14:20:56 20260520-1419-B400_B.11-38 10 H1_Day a53046hl + + - + + + + Ref QBB-G67-hydro-postwu Group Leigh_D
36 14:18:48 20260520-1410-B400_B.11-36 11 F19_NoCPD_Day w52164bc - + - - - + + Ref BC-11-222 P1 Group James_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
36 14:14:37 20260520-1410-B400_B.11-36 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-222 P1 Group James_M
35 14:09:54 20260520-1400-B400_B.11-35 10 H1_Day16 z92209cg + + - + + + + Ref SX1-2-quenched Group Leigh_D
34 14:06:42 20260520-1350-B400_B.11-34 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1162-is Group Procter_D
33 14:02:42 20260520-1350-B400_B.11-33 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1161-is Group Procter_D
31 13:58:12 20260520-1343-B400_B.11-31 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 2h Group Leigh_D ALF154 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:55:38 20260520-1330-B400_B.11-30 11 C13_CPD_Day j26946hi - + - - - + + Ref AT-HI-1-64 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:51:07 20260520-1330-B400_B.11-30 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-64 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 13:47:29 20260520-1342-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref ALF155 fuelled 1h30 Group Leigh_D ALF155 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 13:43:15 20260520-1342-B400_B.11-28 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 1h30 Group Leigh_D ALF153 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 13:37:24 20260520-1325-B400_B.11-26 10 H1_Day16 k48162ck + + - + + + + Ref 3,5-ditBu-pyranhc-au-tBuL10 Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 13:33:59 20260520-1255-B400_B.11-25 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F8 Group Riddell_I
24 13:30:15 20260520-1254-B400_B.11-24 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F4 Group Riddell_I
22 13:26:03 20260520-1253-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 1h30 Group Leigh_D ALF154 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 13:22:26 20260520-1242-B400_B.11-19 10 H1_Day x06125gb + + - + + + + Ref RK13-RT Group Crisenza_G
18 13:17:56 20260520-1230-B400_B.11-18 12 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 13:14:31 20260520-1229-B400_B.11-17 10 H1_Day c96786as + + - + + + + Ref sjw-as-39cr Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 13:10:55 20260520-1228-B400_B.11-16 10 H1_Day c96786as + + - + + + + Ref sjw-as-39cr Group Webb_S
15 13:06:44 20260520-1252-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALF155 fuelled 1h Group Leigh_D ALF155 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 13:02:29 20260520-1251-B400_B.11-14 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 1h Group Leigh_D ALF153 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 12:57:34 20260520-1233-B400_B.11-11 30 P31_CPD_Day w12998gm + + - + + + + Ref il-gm-10-059-u Group Larrosa_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
12 12:52:41 20260520-1233-B400_B.11-11 20 P31_CPD_Day w12998gm + + - + + + + Ref il-gm-10-059-s Group Larrosa_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
11 12:48:22 20260520-1233-B400_B.11-11 10 P31_CPD_Day w12998gm + + - + + + + Ref il-gm-10-059-q Group Larrosa_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2 12:43:52 20260520-1212-B400_B.11-59 30 H1_Day x06125gb + + - + + + + Ref GCGB430Cr Group Crisenza_G
60 12:39:20 20260520-1212-B400_B.11-59 20 H1_Day x06125gb + + - + + + + Ref GCGBBPin Group Crisenza_G
59 12:35:59 20260520-1212-B400_B.11-59 10 H1_Day x06125gb + + - + + + + Ref GCGB444DMSO Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 12:31:50 20260520-1210-B400_B.11-58 10 H1_Day z92209cg + + - + + + + Ref ALF155 fuelled 20 min Group Leigh_D ALF155 fuelled 20 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 12:28:11 20260520-1209-B400_B.11-57 10 H1_Day z92209cg + + - + + + + Ref ALF154 fuelled 20 min Group Leigh_D ALF154 fuelled 20 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:23:56 20260520-1208-B400_B.11-56 10 H1_Day z92209cg + + - + + + + Ref ALF153 fuelled 20 min Group Leigh_D ALF153 fuelled 20 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:22:30 20260520-1200-B400_B.11-55 14 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(iPr)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:20:46 20260520-1200-B400_B.11-55 13 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(iPr)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:19:20 20260520-1200-B400_B.11-55 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(iPr)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:16:54 20260520-1200-B400_B.11-55 11 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(iPr)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:12:52 20260520-1200-B400_B.11-55 10 H1_Day16 z89001ep + + - + + + + Ref YBH4_BIPP(iPr)_ScU_EP Group Mills_D
54 11:57:58 20260520-1149-B400_B.11-54 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1157-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 11:52:45 20260520-1149-B400_B.11-54 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1157-ch Group Procter_D
53 11:49:07 20260520-1136-B400_B.11-53 10 H1_Day z92209cg + + - + + + + Ref ALM2PtCl2 new batch Group Leigh_D ALM2PtCl2 new batch sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 11:42:03 20260520-1135-B400_B.11-52 10 H1_Day a53046hl + + - + + + + Ref QBB-G67-hydro-15hours Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 11:38:33 20260520-1108-B400_B.11-51 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F10 Group Riddell_I
50 11:34:50 20260520-1107-B400_B.11-50 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F5 Group Riddell_I
49 11:30:34 20260520-1103-B400_B.11-49 10 H1_Day z92209cg + + - + + + + Ref ALF155 prefuel Group Leigh_D ALF155 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 11:27:00 20260520-1102-B400_B.11-48 10 H1_Day z92209cg + + - + + + + Ref ALF154 prefuel Group Leigh_D ALF154 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 11:22:40 20260520-1102-B400_B.11-47 10 H1_Day z92209cg + + - + + + + Ref ALF153 prefuel Group Leigh_D ALF153 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 11:17:43 20260520-1056-B400_B.11-45 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155d Group Procter_D
45 11:13:06 20260520-1056-B400_B.11-45 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155c Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 11:08:24 20260520-1048-B400_B.11-44 11 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 11:06:30 20260520-1044-B400_B.11-40 41 F19_NoCPD_Day m02382ac - + - - - + + Ref 9 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
43 11:03:08 20260520-1044-B400_B.11-40 40 H1_Day m02382ac + + - + + + + Ref 9 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 11:01:13 20260520-1044-B400_B.11-40 31 F19_NoCPD_Day m02382ac - + - - - + + Ref 8 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260520-1044-B400_B.11-40/31/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260520-1044-B400_B.11-40/31/pdata/1/peaks!
42 10:57:58 20260520-1044-B400_B.11-40 30 H1_Day m02382ac + + - + + + + Ref 8 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 10:56:04 20260520-1044-B400_B.11-40 21 F19_NoCPD_Day m02382ac - + - - - + + Ref 7 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260520-1044-B400_B.11-40/21/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260520-1044-B400_B.11-40/21/pdata/1/peaks!
41 10:52:43 20260520-1044-B400_B.11-40 20 H1_Day m02382ac + + - + + + + Ref 7 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 10:50:52 20260520-1044-B400_B.11-40 11 F19_NoCPD_Day m02382ac - + - - - + + Ref 6 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260520-1044-B400_B.11-40/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260520-1044-B400_B.11-40/11/pdata/1/peaks!
40 10:47:31 20260520-1044-B400_B.11-40 10 H1_Day m02382ac + + - + + + + Ref 6 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 10:35:07 20260520-1011-B400_B.11-37 30 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155g Group Procter_D
38 10:30:22 20260520-1011-B400_B.11-37 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155f Group Procter_D
37 10:24:03 20260520-1011-B400_B.11-37 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-155e Group Procter_D
36 10:19:08 20260520-1006-B400_B.11-35 20 P31_CPD_Day w12998gm + + - + + + + Ref il-gm-10-059-v Group Larrosa_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
35 10:12:06 20260520-1006-B400_B.11-35 10 P31_CPD_Day w12998gm + + - + + + + Ref il-gm-10-059-u Group Larrosa_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
34 10:09:10 20260520-1004-B400_B.11-34 1690801 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1690801 Group Abbenseth_J SIRi169 SbCyNNN IodobenzeneCF3 in DFB after 1 night 595 and 1 week ambient topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
33 10:06:33 20260520-1003-B400_B.11-33 1680801 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1680801 Group Abbenseth_J SIRi168 SbCyNNN IodobenzeneCF3 xs in benzene after 1 night 595 and 1 week ambient topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
30 10:03:17 20260519-0934-B400_B.11-30 1650501 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1670801 Group Abbenseth_J SIRi167 SbCyNNN IodobenzeneCF3 in benzene after 1 night 595 and 1 week ambient topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
1 09:53:55 20260520-0952-B400_B.11-1 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f2-2 d Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:48:18 20260520-0934-B400_B.11-15 10 H1_Day a53046hl + + - + + + + Ref ph-702-bromo-fuel Group Leigh_D 20 may sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 09:44:44 20260520-0933-B400_B.11-14 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D 20may sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 09:40:00 20260520-0929-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_fuelled Group Leigh_D fuelled at 9:23 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 09:35:30 20260520-0928-B400_B.11-12 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F15 Group Riddell_I
11 09:32:12 20260520-0928-B400_B.11-11 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F7 Group Riddell_I
9 09:29:26 20260520-0923-B400_B.11-9 11 P31_CPD_Day m69065je - + - - - + + Ref DTP-Ph_col Group Mills_D DTP-Ph_col sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
9 09:23:29 20260520-0923-B400_B.11-9 10 H1_Day16 m69065je + + - + + + + Ref DTP-Ph_col Group Mills_D DTP-Ph_col
8 09:15:55 20260519-1904-B400_B.11-8 10 H1_Night m52750pm + + - + + + + Ref GCPM340cr-H Group Crisenza_G
1 09:00:00 20260505-1014-B400_B.11-1 24 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
6 08:53:22 20260520-0836-B400_B.11-6 10 H1_Day a53046hl + + - + + + + Ref JaS_DD_11_B_4_prefuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 08:44:54 20260520-0132-B400_B.11-9 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-657-1 (red spot) Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 08:41:38 20260519-1740-B400_B.11-54 11 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D 36h
59 08:36:45 20260519-2032-B400_B.11-59 10 H1_Day k04094yj + + - + + + + Ref VJ0396-GVK-33-51 Group Leigh_D
5 08:22:30 20260519-1903-B400_B.11-5 12 C13_CPD_Night256 m52750pm - + - - - + + Ref GCPM337F1-C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 07:55:15 20260519-1903-B400_B.11-5 11 C13_DEPT135_Night m52750pm - + - - - + + Ref GCPM337F1-D Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 07:50:53 20260519-1903-B400_B.11-5 10 H1_Night m52750pm + + - + + + + Ref GCPM337F1-H Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 07:44:55 20260520-0730-B400_B.11-25 10 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1682 Column Main Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 07:30:45 20260520-0730-B400_B.11-24 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN1407-14 MeOH-washed polymer - CDCl3 Group De bo_G
23 07:12:26 20260520-0706-B400_B.11-23 11 C13_CPD_Night256 d93111sd + + - + + + + Ref IL-SD-iso-r Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 07:05:39 20260520-0629-B400_B.11-24 13 F19_NoCPD_Night d93111sd - + - - - + + Ref IL-SD-411-iso Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
24 06:58:50 20260520-0629-B400_B.11-24 12 H1_Night d93111sd + + - + + + + Ref IL-SD-411-iso Group Larrosa_I
23 06:51:27 20260520-0629-B400_B.11-23 11 H1_Night d93111sd + + - + + + + Ref IL-SD-iso-r Group Larrosa_I
22 06:25:03 20260519-1747-B400_B.11-22 11 P31_CPD_Night w81028jj - + - - - + + Ref JQJ117.3 Group Webb_S sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
22 06:20:58 20260519-1747-B400_B.11-22 10 H1_Day w81028jj + + - + + + + Ref JQJ117.3 Group Webb_S
6 05:46:07 20260519-1734-B400_B.11-6 14 H1_C13_HMBC_US_Night h68355ac - + - - - + + Ref djp-oc-ss-me-leflun-full Group Procter_D
6 05:30:42 20260519-1734-B400_B.11-6 13 H1_C13_HSQC_US_Night h68355ac - + - - - + + Ref djp-oc-ss-me-leflun-full Group Procter_D
6 04:35:53 20260519-1734-B400_B.11-6 12 C13_CPD_Night1024 h68355ac - + - - - + + Ref djp-oc-ss-me-leflun-full Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 04:29:19 20260519-1734-B400_B.11-6 11 F19_NoCPD_Night h68355ac - + - - - + + Ref djp-oc-ss-me-leflun-full Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6 04:22:52 20260519-1734-B400_B.11-6 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-me-leflun-full Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 04:18:56 20260519-1724-B400_B.11-21 10 H1_Day x06125gb + + - + + + + Ref rk17-ca Group Crisenza_G
4 04:15:43 20260519-1704-B400_B.11-4 13 P31_Wide_Day q50682hk - + - - - + + Ref HK-140-CF3 19.05 Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
4 04:13:41 20260519-1704-B400_B.11-4 12 F19_NoCPD_Day q50682hk - + - - - + + Ref HK-140-CF3 19.05 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4 04:11:25 20260519-1704-B400_B.11-4 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-140-CF3 19.05 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1704-B400_B.11-4/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1704-B400_B.11-4/11/pdata/1/peaks!
4 04:04:22 20260519-1704-B400_B.11-4 10 H1_Day q50682hk + + - + + + + Ref HK-140-CF3 19.05 Group Coram_M
2 04:02:23 20260519-1701-B400_B.11-2 13 F19_NoCPD_Day q50682hk - + - - - + + Ref HK-140-F-fil 19.06 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1701-B400_B.11-2/13/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1701-B400_B.11-2/13/pdata/1/peaks!
2 03:57:16 20260519-1701-B400_B.11-2 12 P31_Wide_Day q50682hk + + - + + + + Ref HK-140-F-fil 19.06 Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1701-B400_B.11-2/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1701-B400_B.11-2/12/pdata/1/peaks!
18 03:03:28 20260519-1650-B400_B.11-18 11 C13_CPD_Night1024 h68355ac - + - - - + + Ref MFG-AC-818-plu-dry Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 02:57:52 20260519-1650-B400_B.11-18 10 H1_Night h68355ac + + - + x + + Ref MFG-AC-818-plu-dry Group Greaney_M topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 02:43:36 20260520-0132-B400_B.11-9 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-657-1 (red spot) Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 02:37:41 20260520-0132-B400_B.11-9 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-657-1 (red spot) Group Procter_D
60 02:22:46 20260520-0131-B400_B.11-60 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-667-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 02:16:43 20260520-0131-B400_B.11-60 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-667-cr Group Procter_D
58 00:47:50 20260519-1642-B400_B.11-58 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-20min Group De bo_G
9 23:55:57 20260518-1507-B400_B.11-9 15 H1_NOESY_US_Night n04147ed + + - + + + + Ref ED-03-061-F2 Group James_M
57 23:28:10 20260519-1634-B400_B.11-57 3040206 P31_Wide_Night w05220ss + + - + + + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 23:13:54 20260519-2256-B400_B.11-60 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-666-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 23:09:00 20260519-2256-B400_B.11-60 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-666-cr Group Procter_D
57 22:33:48 20260519-1634-B400_B.11-57 3040205 H1_C13_HMBC_Night w05220ss - + - - - + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
57 22:18:27 20260519-1634-B400_B.11-57 3040204 H1_C13_HSQC_Night w05220ss - + - - - + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
57 22:05:01 20260519-1634-B400_B.11-57 3040203 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
57 21:49:59 20260519-1634-B400_B.11-57 3040202 C13_CPD_Night256 w05220ss - + - - - + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2
57 21:45:43 20260519-1634-B400_B.11-57 3040201 H1_Night w05220ss + + - + + + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 21:17:21 20260519-1631-B400_B.11-56 3020206 P31_Wide_Night w05220ss + + - + + + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry Et2O - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 21:13:17 20260519-2052-B400_B.11-10 10 H1_Day a53046hl + + - + + + + Ref ph-al-mot-tmeda-pt Group Leigh_D 80 c 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 20:38:08 20260519-1631-B400_B.11-56 3020205 H1_C13_HMBC_Night w05220ss - + - - - + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry Et2O mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
56 20:22:36 20260519-1631-B400_B.11-56 3020204 H1_C13_HSQC_Night w05220ss - + - - - + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry Et2O mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
56 20:09:08 20260519-1631-B400_B.11-56 3020203 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry Et2O mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
56 19:52:22 20260519-1631-B400_B.11-56 3020202 C13_CPD_Night256 w05220ss + + - + + + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry Et2O sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 19:37:01 20260519-1308-B400_B.11-49 15 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-245 crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 18:59:17 20260519-1308-B400_B.11-49 14 H1_C13_HMBC_Night z40973rs + + - + + + + Ref gdb-rs-245 crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
54 18:55:59 20260519-1740-B400_B.11-54 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D 24h
5 18:41:37 20260519-1733-B400_B.11-5 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1153-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 18:36:07 20260519-1733-B400_B.11-5 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1153-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 18:29:12 20260519-1651-B400_B.11-20 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-di-F-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
20 18:14:38 20260519-1651-B400_B.11-20 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-di-F-Zincke Group Greaney_M
20 18:09:58 20260519-1651-B400_B.11-20 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-di-F-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 18:03:16 20260519-1651-B400_B.11-19 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-di-F-Sub Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
19 17:48:21 20260519-1651-B400_B.11-19 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-di-F-Sub Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 17:43:19 20260519-1651-B400_B.11-19 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-di-F-Sub Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 17:34:46 20260519-1415-B400_B.11-51 32 F19_NoCPD_Night m02382ac + + - + + + + Ref 3 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/32/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/32/pdata/1/peaks!
2 17:33:24 20260519-1701-B400_B.11-2 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-140-F-fil 19.06 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1701-B400_B.11-2/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1701-B400_B.11-2/11/pdata/1/peaks!
2 17:28:39 20260519-1701-B400_B.11-2 10 H1_Day q50682hk + + - + + + + Ref HK-140-F-fil 19.06 Group Coram_M
60 17:26:24 20260519-1700-B400_B.11-60 14 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-140 F no filt 19.05 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1700-B400_B.11-60/14/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1700-B400_B.11-60/14/pdata/1/peaks!
60 17:23:10 20260519-1700-B400_B.11-60 13 P31_Wide_Day q50682hk - + - - - + + Ref HK-140 F no filt 19.05 Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
60 17:21:06 20260519-1700-B400_B.11-60 12 F19_NoCPD_Day q50682hk - + - - - + + Ref HK-140 F no filt 19.05 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
60 17:15:30 20260519-1700-B400_B.11-60 10 H1_Day q50682hk + + - + + + + Ref HK-140 F no filt 19.05 Group Coram_M
59 17:13:15 20260519-1659-B400_B.11-59 14 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-140 orang2 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1659-B400_B.11-59/14/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1659-B400_B.11-59/14/pdata/1/peaks!
59 17:11:11 20260519-1659-B400_B.11-59 13 F19_NoCPD_Day q50682hk - + - - - + + Ref HK-140 orang2 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1659-B400_B.11-59/13/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1659-B400_B.11-59/13/pdata/1/peaks!
59 17:08:07 20260519-1659-B400_B.11-59 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-140 orang2 Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1659-B400_B.11-59/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260519-1659-B400_B.11-59/12/pdata/1/peaks!
59 17:03:10 20260519-1659-B400_B.11-59 10 H1_Day q50682hk + + - + + + + Ref HK-140 orang2 Group Coram_M
56 16:58:13 20260519-1631-B400_B.11-56 3020201 H1_Night w05220ss + + - + + + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry Et2O sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 16:49:37 20260519-1415-B400_B.11-51 52 F19_NoCPD_Night m02382ac + + - + + + + Ref 5 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/52/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/52/pdata/1/peaks!
54 16:45:11 20260519-1639-B400_B.11-54 10 H1_Day a53046hl + + - + + + + Ref exc-cryptand-reversible-222crypt-3 Group Leigh_D exc-cryptand-reversible-222crypt-3 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 16:37:10 20260519-1415-B400_B.11-51 22 F19_NoCPD_Night m02382ac + + - + + + + Ref 2 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
51 16:28:45 20260519-1415-B400_B.11-51 12 F19_NoCPD_Night m02382ac + + - + + + + Ref 1 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/12/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/12/pdata/1/peaks!
18 16:24:22 20260519-1540-B400_B.11-17 20 H1_Day x06125gb + + - + + + + Ref rk19-c Group Crisenza_G
17 16:20:50 20260519-1540-B400_B.11-17 10 H1_Day x06125gb + + - + + + + Ref rk18-c Group Crisenza_G
10 16:13:33 20260519-1607-B400_B.11-10 10 Si29_DEPT90_Day mbdxrlw2 + + - + + + + Ref lw017_Li2Cb Group Mills_D sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260519-1607-B400_B.11-10/10/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260519-1607-B400_B.11-10/10/pdata/1/peaks!
8 16:09:09 20260519-1603-B400_B.11-8 10 H1_Day a53046hl + + - + + + + Ref exc-cryptand-reversible-nacl-2 Group Leigh_D exc-cryptand-reversible-nacl-2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:06:24 20260519-1553-B400_B.11-6 11 C13_CPD_Day c96786as - + - - - + + Ref sjw-as-38cr Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:02:56 20260519-1553-B400_B.11-6 10 H1_Day c96786as + + - + + + + Ref sjw-as-38cr Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 15:59:14 20260519-1554-B400_B.11-4 10 H1_Day a53046hl + + - + + + + Ref QBB-G58-postwu Group Leigh_D
2 15:55:29 20260519-1536-B400_B.11-2 11 Si29_CPD_Day mbdxrlw2 - + - - - + + Ref lw017_CpCoCb Group Mills_D sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260519-1536-B400_B.11-2/11/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260519-1536-B400_B.11-2/11/pdata/1/peaks!
2 15:51:07 20260519-1536-B400_B.11-2 10 H1_Day16 mbdxrlw2 + + - + + + + Ref lw017_CpCoCb Group Mills_D
60 15:46:45 20260519-1529-B400_B.11-59 20 H1_Day x06125gb + + - + + + + Ref GCGB457Cr Group Crisenza_G
59 15:42:11 20260519-1529-B400_B.11-59 10 H1_Day x06125gb + + - + + + + Ref GCGB456Cr Group Crisenza_G
58 15:37:38 20260519-1520-B400_B.11-58 10 H1_Day a53046hl + + - + + + + Ref exc-cryptand-reversible-1 Group Leigh_D exc-cryptand-reversible-1 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 15:35:13 20260519-1518-B400_B.11-57 3040131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 15:30:52 20260519-1518-B400_B.11-57 3040101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-04 Group Abbenseth_J JA-SiS-III-04 P(NNN) HNEt2 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 15:24:35 20260519-1516-B400_B.11-56 10 H1_Day16 k48162ck + + - + + + + Ref 3,5-ditbu-pyranhc-aucl-mw-pentane-wash Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 15:16:11 20260519-1415-B400_B.11-51 42 F19_NoCPD_Night m02382ac + + - + + + + Ref 4 Group Kinloch_I log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/42/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20260519-1415-B400_B.11-51/42/pdata/1/peaks!
60 15:11:49 20260519-1443-B400_B.11-60 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1154-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 15:08:19 20260519-1442-B400_B.11-59 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1153-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 15:02:11 20260519-1437-B400_B.11-58 10 H1_Day16 p13528bg + + - + + + + Ref BG-023d) tt5 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:56:45 20260519-1428-B400_B.11-56 20 H1_Day x06125gb + + - + + + + Ref rk13-pf Group Crisenza_G
56 14:52:47 20260519-1428-B400_B.11-56 10 H1_Day x06125gb + + - + + + + Ref rk17-pf Group Crisenza_G
55 14:50:52 20260519-1415-B400_B.11-51 51 C13_CPD_Day m02382ac - + - - - + + Ref 5 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 14:47:55 20260519-1415-B400_B.11-51 50 H1_Day m02382ac + + - + + + + Ref 5 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 14:45:59 20260519-1415-B400_B.11-51 41 C13_CPD_Day m02382ac - + - - - + + Ref 4 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 14:42:56 20260519-1415-B400_B.11-51 40 H1_Day m02382ac + + - + + + + Ref 4 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:41:01 20260519-1415-B400_B.11-51 31 C13_CPD_Day m02382ac - + - - - + + Ref 3 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:37:57 20260519-1415-B400_B.11-51 30 H1_Day m02382ac + + - + + + + Ref 3 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:36:02 20260519-1415-B400_B.11-51 21 C13_CPD_Day m02382ac - + - - - + + Ref 2 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:32:55 20260519-1415-B400_B.11-51 20 H1_Day m02382ac + + - + + + + Ref 2 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 14:30:59 20260519-1415-B400_B.11-51 11 C13_CPD_Day m02382ac - + - - - + + Ref 1 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 14:27:21 20260519-1415-B400_B.11-51 10 H1_Day m02382ac + + - + + + + Ref 1 Group Kinloch_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 14:22:32 20260519-1359-B400_B.11-16 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-62D Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 14:18:02 20260519-1356-B400_B.11-15 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 after vac sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 14:14:59 20260519-1356-B400_B.11-15 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 after vac
14 14:11:23 20260519-1341-B400_B.11-14 10 H1_Day j26946hi + + - + + + + Ref HI-1-63 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 14:06:15 20260519-1341-B400_B.11-13 10 H1_Day j26946hi + + - + + + + Ref HI-1-62C Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 14:01:46 20260519-1340-B400_B.11-12 10 H1_Day j26946hi + + - + + + + Ref HI-1-62A Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:57:12 20260519-1340-B400_B.11-11 10 H1_Day j26946hi + + - + + + + Ref HI-1-60 Group Trowbridge_A
10 13:52:01 20260519-1338-B400_B.11-8 20 H1_Day16 p13528bg + + - + + + + Ref BG-023d) tt24 Group De bo_G
8 13:46:12 20260519-1338-B400_B.11-8 10 H1_Day16 p13528bg + + - + + + + Ref BG-023d) tt12 Group De bo_G
6 13:40:13 20260519-1336-B400_B.11-6 10 H1_Day16 p13528bg + + - + + + + Ref BG-023d) tt8 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:36:02 20260519-1326-B400_B.11-5 10 F19_NoCPD_Day f09303eg + + - + + + + Ref EG69 Group Webb_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4 13:31:32 20260519-1324-B400_B.11-4 10 H1_Day f09303eg + + - + + + + Ref pre wash EG70 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 13:28:21 20260519-1323-B400_B.11-3 10 H1_Day f09303eg - - - - - - - Ref pure EG70 Group Webb_S
2 13:23:54 20260519-1322-B400_B.11-2 10 F19_NoCPD_Day f09303eg + + - + + + + Ref EG69 Group Webb_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260519-1322-B400_B.11-2/10/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260519-1322-B400_B.11-2/10/pdata/1/peaks!
49 13:21:41 20260519-1308-B400_B.11-49 13 H1_Night z40973rs - + - - - + + Ref gdb-rs-245 crude Group De bo_G
49 13:19:05 20260519-1308-B400_B.11-49 12 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-245 crude Group De bo_G
49 13:13:12 20260519-1308-B400_B.11-49 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-245 crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 13:10:00 20260519-1308-B400_B.11-49 10 H1_Day z40973rs + + - + + + + Ref gdb-rs-245 crude Group De bo_G
34 13:02:16 20260519-1256-B400_B.11-33 20 H1_Day x06125gb + + - + + + + Ref GCGB430F6 Group Crisenza_G
33 12:57:50 20260519-1256-B400_B.11-33 10 H1_Day x06125gb + + - + + + + Ref GCGB444b Group Crisenza_G
31 12:47:12 20260519-1239-B400_B.11-31 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1677 Column Mid Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 12:43:42 20260519-0934-B400_B.11-30 1650501 H1_Day w05220ss - - - - - - - Ref JA-SiRi-I-1650501 Group Abbenseth_J SIRi165 SbCyNNN 18c6 THF after 1night 70C
29 12:41:39 20260518-1728-B400_B.11-29 1660402 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1660301 Group Abbenseth_J SiRi 166 SbCyNNN crypt Iodotrifluorotoluene THFd8 (orange brown) log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
29 12:36:11 20260518-1728-B400_B.11-29 1660401 H1_Day w05220ss + + - + x + + Ref JA-SiRi-I-1660301 Group Abbenseth_J SiRi 166 SbCyNNN crypt Iodotrifluorotoluene THFd8 (orange brown) topshim: TopshimRawCheck - the signal-to-noise is too low, Shim failed
46 12:31:45 20260519-1219-B400_B.11-46 10 H1_Day a53046hl + + - + + + + Ref exc-crown-ether-motor-pure Group Leigh_D exc-crown-ether-motor-pure sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 12:28:19 20260519-1157-B400_B.11-45 10 H1_Day z86427mk + + - + + + + Ref MK-286-B Group Procter_D
44 12:26:20 20260519-1155-B400_B.11-44 12 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-62-pf6 Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
44 12:23:53 20260519-1155-B400_B.11-44 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-62-pf6 Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
44 12:18:47 20260519-1155-B400_B.11-44 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-62-pf6 Group Trowbridge_A
43 12:15:29 20260519-1154-B400_B.11-43 10 H1_Day z16689fe + + - + + + + Ref DJP FE 439 Group Procter_D COLUMNED sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 12:09:37 20260519-1153-B400_B.11-42 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-422a Group Larrosa_I
41 12:07:41 20260519-1149-B400_B.11-41 11 C13_CPD_Day h32367lm - + - - - + + Ref LMPEGgrubbs-f57-59 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 12:01:35 20260519-1149-B400_B.11-41 10 H1_Day16 h32367lm + + - + + + + Ref LMPEGgrubbs-f57-59 Group Leigh_D
40 11:57:06 20260519-1136-B400_B.11-40 10 H1_Day m69722at + + - + + + + Ref SFF-SAN-NH2 Group Leigh_D
39 11:43:33 20260519-1006-B400_B.11-39 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1407-12 MeOH-washed polymer - CDCl3 Group De bo_G
38 11:41:01 20260519-1133-B400_B.11-38 11 C13_CPD_Day z40241jm - + - - - + + Ref DJP-JIM-8-093-1a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 11:34:51 20260519-1133-B400_B.11-38 10 H1_Day16 z40241jm + + - + + + + Ref DJP-JIM-8-093-1a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 10:12:53 20260519-1003-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALF149 fuelled 11h30 Group Leigh_D ALF149 fuelled 11h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 10:07:41 20260519-1000-B400_B.11-35 20 H1_Day16 p13528bg + + - + + + + Ref BG-023c) 16h crude Group De bo_G
35 10:01:45 20260519-1000-B400_B.11-35 10 H1_Day16 p13528bg + + - + + + + Ref BG-023d) 16h crude + more BMA Group De bo_G
33 09:59:21 20260519-0945-B400_B.11-33 3020131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry et2o - solid - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 09:55:03 20260519-0945-B400_B.11-33 3020101 H1_Day w05220ss + + - + + + + Ref JA-SiS-III-02 Group Abbenseth_J JA-SiS-III-02 P(NNN) PA after recry et2o - solid - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 09:48:32 20260519-0934-B400_B.11-30 1650501 H1_Day w05220ss - - - - - - - Ref JA-SiRi-I-1650501 Group Abbenseth_J SIRi165 SbCyNNN 18c6 THF after 1night 70C
29 09:46:39 20260518-1728-B400_B.11-29 1660302 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1660301 Group Abbenseth_J SiRi 166 SbCyNNN crypt Iodotrifluorotoluene THFd8 (orange brown) log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
29 09:42:50 20260518-1728-B400_B.11-29 1660301 H1_Day w05220ss + + - + x + + Ref JA-SiRi-I-1660301 Group Abbenseth_J SiRi 166 SbCyNNN crypt Iodotrifluorotoluene THFd8 (orange brown) topshim: TopshimFieldMap - no valid data in sample centre, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 09:40:50 20260518-1726-B400_B.11-28 2050502 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-II-2050501 Group Abbenseth_J SIRi205 SbCyNNN 18c6 Iodotrifluorotoluene THF after 3h 70C vacuo C6D6 after 1day log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
28 09:37:21 20260518-1726-B400_B.11-28 2050501 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2050501 Group Abbenseth_J SIRi205 SbCyNNN 18c6 Iodotrifluorotoluene THF after 3h 70C vacuo C6D6 after 1day
6 09:32:52 20260519-0926-B400_B.11-6 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up x 33 + 60C on sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 09:29:36 20260519-0926-B400_B.11-6 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up x 33 + 60C on
5 09:26:31 20260519-0917-B400_B.11-5 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D 18h
4 09:22:23 20260519-0906-B400_B.11-4 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-45 F50 Group Riddell_I
3 09:19:03 20260519-0906-B400_B.11-3 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-45 F10 Group Riddell_I
2 09:15:34 20260519-0905-B400_B.11-2 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 R1 residue Group Riddell_I
1 09:00:00 20260505-1014-B400_B.11-1 23 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 08:02:35 20260519-0801-B400_B.11-34 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN1407-11 MeOH-washed polymer - CDCl3 Group De bo_G
14 06:20:28 20260518-1916-B400_B.11-14 14 H1_C13_HMBC_Night b59259yj - + - - - + + Ref MTYJTMcapa Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 06:05:07 20260518-1916-B400_B.11-14 13 H1_C13_HSQC_Night b59259yj - + - - - + + Ref MTYJTMcapa Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 05:51:34 20260518-1916-B400_B.11-14 12 H1_COSY_HiRes_Night b59259yj - + - - - + + Ref MTYJTMcapa Group Turner_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 05:36:39 20260518-1916-B400_B.11-14 11 C13_CPD_Night256 b59259yj - + - - - + + Ref MTYJTMcapa Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 05:31:11 20260518-1916-B400_B.11-14 10 H1_Night b59259yj + + - + + + + Ref MTYJTMcapa Group Turner_M
4 05:04:51 20260518-1809-B400_B.11-4 11 P31_CPD_Night w81028jj - + - - - + + Ref JQJ117.2 Group Webb_S sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4 04:58:52 20260518-1809-B400_B.11-4 10 H1_Day w81028jj + + - + + + + Ref JQJ117.2 Group Webb_S
52 03:29:37 20260518-1806-B400_B.11-52 10 H1_Night1024 y52364mw + + - + + + + Ref GDB-MJ-166-PMA-t3-10min Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 02:54:46 20260518-1747-B400_B.11-11 14 H1_C13_HMBC_US_Night h68355ac - + - - - + + Ref djp-oc-1117-ch-b Group Procter_D
11 02:39:32 20260518-1747-B400_B.11-11 13 H1_C13_HSQC_US_Night h68355ac - + - - - + + Ref djp-oc-1117-ch-b Group Procter_D
11 02:37:12 20260518-1747-B400_B.11-11 12 H1_Night h68355ac - + - - - + + Ref djp-oc-1117-ch-b Group Procter_D
11 02:16:35 20260518-1747-B400_B.11-11 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1117-ch-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 01:22:44 20260518-1746-B400_B.11-10 11 C13_CPD_Night1024 h68355ac - + - - - + + Ref djp-oc-1023-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 01:16:05 20260518-1746-B400_B.11-10 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1023-ch Group Procter_D
29 01:12:50 20260518-1728-B400_B.11-29 1660301 H1_Day w05220ss - - - - - - - Ref JA-SiRi-I-1660301 Group Abbenseth_J SiRi 166 SbCyNNN crypt Iodotrifluorotoluene THFd8 (orange brown)
28 01:10:54 20260518-1726-B400_B.11-28 2050402 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-II-2050401 Group Abbenseth_J SIRi205 SbCyNNN 18c6 Iodotrifluorotoluene THF after 3h 70C vacuo C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
28 01:06:59 20260518-1726-B400_B.11-28 2050401 H1_Day w05220ss + + - + x + + Ref JA-SiRi-II-2050401 Group Abbenseth_J SIRi205 SbCyNNN 18c6 Iodotrifluorotoluene THF after 3h 70C vacuo C6D6 topshim: TopshimFieldMap - no valid data in sample centre, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 01:01:49 20260518-1723-B400_B.11-33 10 H1_Day k04094yj + + - + + + + Ref VJ0397-GF-Org Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 00:56:18 20260518-1722-B400_B.11-30 10 H1_Day k04094yj + + - + + + + Ref VJ0396-GVK-Org Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 00:53:02 20260518-1721-B400_B.11-26 10 H1_Day k04094yj + + - + + + + Ref VJ0389-59-30 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 00:48:14 20260518-1721-B400_B.11-25 10 H1_Day k04094yj + + - + + + + Ref VJ0389-1-52 Group Leigh_D
2 00:32:53 20260518-1645-B400_B.11-2 12 H1_C13_HSQC_Night f11141tm - + - - - + + Ref H2Salen HSQC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 23:36:18 20260518-1645-B400_B.11-2 11 C13_CPD_Night1024 f11141tm + + - + + + + Ref H2Salen CNMR ns1024 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 23:18:16 20260518-2156-B400_B.11-5 12 C13_CPD_Night256 m09677nb + + - + + + + Ref 2naph 4ph zk Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 23:13:43 20260518-2211-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF150 fuelled 1h Group Leigh_D ALF150 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 23:13:13 20260518-2210-B400_B.11-7 10 H1_Day z92209cg - - - - - - - Ref ALF149 fuelled 1h Group Leigh_D ALF149 fuelled 1h
6 22:56:38 20260518-2225-B400_B.11-6 11 C13_CPD_Night256 m09677nb + + - + + + + Ref 2biphenyl 4ph zk Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 22:43:00 20260518-2156-B400_B.11-5 11 H1_Night128 m09677nb + + - + + + + Ref 2naph 4ph zk Group Greaney_M
6 22:28:49 20260518-2225-B400_B.11-6 10 H1_Night128 m09677nb + + - + + + + Ref 2biphenyl 4ph zk Group Greaney_M
8 22:25:01 20260518-2211-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF150 fuelled 5 min Group Leigh_D ALF150 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 22:19:33 20260518-2210-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF149 fuelled 5min Group Leigh_D ALF149 fuelled 5min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 22:06:18 20260518-2156-B400_B.11-5 20 H1_Night128 m09677nb - - - - - - - Ref 2biph 4ph zk Group Greaney_M Automation was stopped by user
5 22:05:12 20260518-2156-B400_B.11-5 10 H1_Night128 m09677nb - - - - - - - Ref 2naph 4ph zk Group Greaney_M
2 21:51:07 20260518-1645-B400_B.11-2 10 H1_Night128 f11141tm + + - + + + + Ref H2Salen HNMR ns128 Group Yang_S
15 21:47:19 20260518-2119-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALF144 fuelled 9h Group Leigh_D ALF144 fuelled 9h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 21:43:37 20260518-2118-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref ALF150 prefuel Group Leigh_D ALF150 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 21:39:02 20260518-2117-B400_B.11-12 10 H1_Day z92209cg + + - + + + + Ref ALF149 prefuel Group Leigh_D ALF149 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 21:03:53 20260518-1507-B400_B.11-9 14 H1_C13_HMBC_Night n04147ed - + - - - + + Ref ED-03-061-F2 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 20:48:31 20260518-1507-B400_B.11-9 13 H1_C13_HSQC_Night n04147ed - + - - - + + Ref ED-03-061-F2 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 20:35:02 20260518-1507-B400_B.11-9 12 H1_COSY_HiRes_Night n04147ed - + - - - + + Ref ED-03-061-F2 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 20:20:46 20260518-1507-B400_B.11-9 11 C13_CPD_Night256 n04147ed - + - - - + + Ref ED-03-061-F2 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 20:15:37 20260518-1507-B400_B.11-9 10 H1_Night n04147ed + + - + + + + Ref ED-03-061-F2 Group James_M
8 19:23:42 20260518-1506-B400_B.11-8 15 H1_NOESY_US_Night n04147ed + + - + + + + Ref ED-03-061-F1 Group James_M
13 19:20:21 20260518-1843-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D
12 19:17:02 20260518-1842-B400_B.11-12 10 H1_Day a53046hl + + - + + + + Ref ph-tpt-pd-dan-rot Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 18:41:53 20260518-1506-B400_B.11-8 14 H1_C13_HMBC_Night n04147ed - + - - - + + Ref ED-03-061-F1 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
8 18:22:12 20260518-1506-B400_B.11-8 13 H1_C13_HSQC_Night n04147ed + + - + + + + Ref ED-03-061-F1 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 18:17:24 20260518-1806-B400_B.11-51 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D4 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 18:12:36 20260518-1743-B400_B.11-3 10 H1_Night p13528bg + + - + + + + Ref BG-003c isolated Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 18:05:46 20260518-1735-B400_B.11-18 11 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-825-col-F Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
18 17:47:23 20260518-1735-B400_B.11-18 10 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-825-col-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 17:31:09 20260518-1506-B400_B.11-8 12 H1_COSY_HiRes_Night n04147ed + + - + + + + Ref ED-03-061-F1 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 17:26:46 20260518-1712-B400_B.11-24 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 top up x3 + 10 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 17:22:58 20260518-1712-B400_B.11-24 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 top up x3 + 10 min
23 17:18:56 20260518-1637-B400_B.11-23 10 H1_Day z92209cg + + - + + + + Ref ALF148 fuelled 2h Group Leigh_D ALF148 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 17:15:18 20260518-1613-B400_B.11-22 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D 2h
21 17:11:39 20260518-1636-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref ALF147 fuelled 2h Group Leigh_D ALF147 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 17:06:56 20260518-1635-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF146 fuelled 2h Group Leigh_D ALF146 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 17:02:23 20260518-1648-B400_B.11-18 10 H1_Day16 f56027ch + + - + + + + Ref Br Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 16:58:49 20260518-1634-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF145 fuelled 2h Group Leigh_D ALF145 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 16:54:33 20260518-1633-B400_B.11-16 10 H1_Day z92209cg + + - + + + + Ref ALF144 fuelled 3h30 Group Leigh_D ALF144 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 16:50:05 20260518-1622-B400_B.11-15 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 F72 Group Riddell_I
14 16:44:23 20260518-1614-B400_B.11-12 30 H1_Day16 p10102hz + + - + + + + Ref zhb-a-151c Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 16:40:11 20260518-1614-B400_B.11-12 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-151a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 16:33:41 20260518-1614-B400_B.11-12 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-153a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 16:30:08 20260518-1611-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref ph-678-cage-8-2 Group Leigh_D
10 16:24:28 20260518-1610-B400_B.11-10 10 H1_Day16 p13528bg + + - + + + + Ref BG-023d) 4h crude Group De bo_G
8 16:06:45 20260518-1506-B400_B.11-8 11 C13_CPD_Night256 n04147ed + + - + + + + Ref ED-03-061-F1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 16:03:26 20260518-1548-B400_B.11-21 2050301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2050301 Group Abbenseth_J SiRi205 SbCyNNN KOtBu 18c6 Iodotrifluorotoluene THF after 3 h 70C (green) topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
20 15:58:21 20260518-1547-B400_B.11-20 1660201 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-1660201 Group Abbenseth_J SiRi166 SbCyNNN KOtBu crypt THF
19 15:54:02 20260518-1544-B400_B.11-19 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb044-crude Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:50:41 20260518-1541-B400_B.11-18 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-fuel Group Leigh_D 15:35 10eqv dmap
17 15:42:55 20260518-1532-B400_B.11-17 10 Si29_DEPT90_Day mbdxrlw2 + + - + + + + Ref lw016_cbcocp Group Mills_D sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260518-1532-B400_B.11-17/10/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260518-1532-B400_B.11-17/10/pdata/1/peaks!
16 15:39:26 20260518-1516-B400_B.11-16 10 H1_Day z92209cg + + - + + + + Ref ALF148 fuelled 30 min Group Leigh_D ALF148 fuelled 30 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 15:34:54 20260518-1515-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALF147 fuelled 30 min Group Leigh_D ALF147 fuelled 30 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 15:31:42 20260518-1522-B400_B.11-14 10 H1_Day a53046hl + + - + + + + Ref ph-705-fuel Group Leigh_D 3.5h
13 15:28:15 20260518-1521-B400_B.11-13 10 H1_Day a53046hl + + - + + + + Ref ph-705-dmap-prefuel Group Leigh_D
12 15:24:35 20260518-1515-B400_B.11-12 10 H1_Day z92209cg + + - + + + + Ref ALF146 fuelled 30 min Group Leigh_D ALF146 fuelled 30 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:20:55 20260518-1514-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF145 fuelled 30 min Group Leigh_D ALF145 fuelled 30 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:16:26 20260518-1512-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF144 fuelled 2h Group Leigh_D ALF144 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:10:15 20260518-1506-B400_B.11-8 10 H1_Night n04147ed + + - + + + + Ref ED-03-061-F1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 14:52:23 20260518-1429-B400_B.11-40 10 H1_Day z92209cg + + - + + + + Ref ALF148 fuelled 15 min Group Leigh_D ALF148 fuelled 15 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 14:48:46 20260518-1429-B400_B.11-39 10 H1_Day z92209cg + + - + + + + Ref ALF147 fuelled 15 min Group Leigh_D ALF147 fuelled 15 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 14:45:08 20260518-1428-B400_B.11-38 10 H1_Day z92209cg + + - + + + + Ref ALF146 fuelled 15 min Group Leigh_D ALF146 fuelled 15 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 14:41:37 20260518-1428-B400_B.11-36 10 H1_Day z92209cg + + - + + + + Ref ALF145 fuelled 15 min Group Leigh_D ALF145 fuelled 15 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 14:37:06 20260518-1413-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref ALF144 fuelled 1h30 Group Leigh_D ALF144 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 14:31:26 20260518-1408-B400_B.11-34 10 H1_Day16 p13528bg + + - + + + + Ref BG-023d) 1:50 h crude Group De bo_G
33 14:24:50 20260518-1408-B400_B.11-33 10 H1_Day16 p13528bg + + - + + + + Ref BG-023 SM DMA Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 14:19:41 20260518-1006-B400_B.11-31 11 H1_Day16 z92209cg + + - + + + + Ref sl-em-f2-2 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 14:15:19 20260518-1402-B400_B.11-29 20 H1_Day x06125gb + + - + + + + Ref rk11-pf Group Crisenza_G
29 14:10:38 20260518-1402-B400_B.11-29 10 H1_Day x06125gb + + - + + + + Ref rk15-c Group Crisenza_G
28 14:07:12 20260518-1356-B400_B.11-28 10 H1_Day a53046hl + + - + + + + Ref ph-705-fuel Group Leigh_D 2h
26 14:03:32 20260518-1355-B400_B.11-26 10 H1_Day a53046hl + + - + + + + Ref ph-3tpt-pt Group Leigh_D 150 c 10h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 13:59:37 20260518-1354-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref ph-704-5-5-nobuf Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:55:57 20260518-1341-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF148 prefuel Group Leigh_D ALF148 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 13:52:11 20260518-1341-B400_B.11-23 10 H1_Day z92209cg + + - + + + + Ref ALF147 prefuel Group Leigh_D ALF147 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 13:48:31 20260518-1340-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALF146 prefuel Group Leigh_D ALF146 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 13:44:44 20260518-1340-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref ALF145 prefuel Group Leigh_D ALF145 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:40:27 20260518-1253-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF144 fuelled 50 min Group Leigh_D ALF144 fuelled 50 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 13:29:00 20260518-1322-B400_B.11-4 10 H1_Day16 p13528bg + + - + + + + Ref BG-003c) crude 96h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 13:23:33 20260518-1321-B400_B.11-3 10 H1_Day16 p13528bg + + - + + + + Ref BG-023c) 1:50 h crude Group De bo_G
7 13:16:44 20260518-1316-B400_B.11-7 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-44 R1 Group Riddell_I
2 13:09:28 20260518-1253-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF144 fuelled 20 min Group Leigh_D ALF144 fuelled 20 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 13:06:43 20260518-1249-B400_B.11-60 2050201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2050201 Group Abbenseth_J SiRi205 SbCyNNN KOtBu Idotrifluorotoluene THF after 30 min 70C topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
59 13:01:30 20260518-1246-B400_B.11-59 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f2-0 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 12:57:03 20260518-1238-B400_B.11-58 10 H1_Day x06125gb + + - + + + + Ref GCGBLynestrenol Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 12:53:13 20260518-1237-B400_B.11-57 10 H1_Day a53046hl + + - + + + + Ref ph-705-fuel Group Leigh_D 1h
56 12:49:10 20260518-1237-B400_B.11-56 10 H1_Day a53046hl + + - + + + + Ref ph-704-5-5 Group Leigh_D
55 12:44:37 20260518-1228-B400_B.11-55 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-DCM ws phase-DMSO Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 12:39:29 20260518-1228-B400_B.11-54 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D2-DCM ws phase-CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 12:36:12 20260518-1210-B400_B.11-53 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_064F Group Willcox_D
52 12:32:50 20260518-1210-B400_B.11-52 10 H1_Day a53046hl + + - + + + + Ref JaS_BM_9_flasks_1-9 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 12:28:28 20260518-1208-B400_B.11-51 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-150b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 12:23:34 20260518-1202-B400_B.11-50 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-fenofibrateisolted Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 12:20:09 20260518-1159-B400_B.11-49 10 H1_Day m46745sw + + - + + + + Ref PM3-2-FEULED Group Natrajan_L sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 12:15:42 20260518-1157-B400_B.11-48 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-45 Group Riddell_I
47 12:12:26 20260518-1155-B400_B.11-47 10 H1_Day a53046hl + + - + + + + Ref ph-705-fuel Group Leigh_D 11:50 am 18/05/2026
46 12:11:03 20260518-1149-B400_B.11-46 2020102 B11_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-II-2020101 Group Abbenseth_J SiRi202 ligand log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260518-1149-B400_B.11-46/2020102/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260518-1149-B400_B.11-46/2020102/pdata/1/peaks!
46 12:04:27 20260518-1149-B400_B.11-46 2020101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-II-2020101 Group Abbenseth_J SiRi202 ligand sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 12:01:12 20260518-1142-B400_B.11-45 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D 7d sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 11:56:19 20260518-1141-B400_B.11-44 10 H1_Day a53046hl - - - - - - - Ref ph-704-5-5 Group Leigh_D
43 11:52:55 20260518-1140-B400_B.11-43 10 H1_Day a53046hl + + - + + + + Ref ph-702-br-fuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 11:47:54 20260518-1139-B400_B.11-42 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1150-is Group Procter_D
41 11:42:17 20260518-1120-B400_B.11-41 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f2-prefuel Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 11:39:30 20260518-1044-B400_B.11-40 2050101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-II-2050101 Group Abbenseth_J SiRi205 SbCyNNN KOtBu Idotrifluorotoluene in THF topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
39 11:35:35 20260518-1043-B400_B.11-39 10 H1_Day e72206ov + + - + + + + Ref ov-clipping-b 72 h Group De bo_G
38 11:31:32 20260518-1035-B400_B.11-38 10 H1_B11CPD_Day g36620hh + + - + + + + Ref HH38.8 Group Mills_D o.w. 60C
37 11:26:58 20260518-1025-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALF144 prefuel Group Leigh_D ALF144 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 11:23:35 20260518-1020-B400_B.11-35 20 H1_Day x06125gb + + - + + + + Ref rk16-c Group Crisenza_G
35 11:20:03 20260518-1020-B400_B.11-35 10 H1_Day x06125gb + + - + + + + Ref rk14-c Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 11:17:57 20260518-1017-B400_B.11-34 11 C13_CPD_Day f09303eg - + - - - + + Ref EG66 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 11:13:40 20260518-1017-B400_B.11-34 10 H1_Day f09303eg + + - + + + + Ref EG66 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:10:52 20260518-1011-B400_B.11-33 11 C13_CPD_Day e14150oc - + - - - + + Ref Oc_ti7Ga_ThreadA_est_crude(1) Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:06:26 20260518-1011-B400_B.11-33 10 H1_Day e14150oc + + - + + + + Ref Oc_ti7Ga_ThreadA_est_crude(1) Group Winpenny_R
30 11:02:55 20260518-0959-B400_B.11-30 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 20h Group Leigh_D ALF143 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 10:59:20 20260518-0959-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 20h Group Leigh_D ALF142 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 10:53:56 20260518-0959-B400_B.11-28 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 20h Group Leigh_D ALF141 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 10:52:36 20260518-1008-B400_B.11-32 10 H1_ExtraWide_Day b78349dw x - - - - - - Ref DW01_064F Group Willcox_D WebService Error: BrukSoapFaultExceptionException: Namespace for requested service is unknown
31 10:52:34 20260518-1006-B400_B.11-31 10 H1_Day x06125gb x - - - - - - Ref RK15-C Group Crisenza_G WebService Error: connect failed connection refused
30 10:51:32 20260518-0959-B400_B.11-30 10 H1_Day z92209cg x - - - - - - Ref ALF143 fuelled 20h Group Leigh_D ALF143 fuelled 20h WebService Error: connect failed connection refused
29 10:44:46 20260518-0959-B400_B.11-29 10 H1_Day z92209cg x - - - - - - Ref ALF142 fuelled 20h Group Leigh_D ALF142 fuelled 20h WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
28 10:39:27 20260518-0959-B400_B.11-28 10 H1_Day z92209cg x - - - - - - Ref ALF141 fuelled 20h Group Leigh_D ALF141 fuelled 20h WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
27 10:38:22 20260518-1002-B400_B.11-27 10 H1_Day a53046hl - - - - - - - Ref ph-702-br-fuel Group Leigh_D 4d
26 10:33:58 20260518-1002-B400_B.11-26 10 H1_Day a53046hl + + - + + + + Ref ph-704-5-5 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 10:27:56 20260518-1001-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref ph-705-prefuel Group Leigh_D
27 10:18:18 20260518-1002-B400_B.11-27 10 H1_Day a53046hl - - - - - - - Ref ph-702-br-fuel Group Leigh_D 4d Automation was stopped by user
26 10:12:59 20260518-1002-B400_B.11-26 10 H1_Day a53046hl x - - - - - - Ref ph-704-5-5 Group Leigh_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
25 10:11:54 20260518-1001-B400_B.11-25 10 H1_Day a53046hl - - - - - - - Ref ph-705-prefuel Group Leigh_D
24 10:08:15 20260518-0958-B400_B.11-24 10 H1_Day z92209cg + + - + + + + Ref ALF139 2 fuelled 20h Group Leigh_D ALF139 2 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 10:04:40 20260518-0957-B400_B.11-23 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fuelled 20h Group Leigh_D ALF140 2 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 10:00:22 20260518-0957-B400_B.11-22 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 20h Group Leigh_D ALF138 2 fuelled 20h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 09:54:06 20260518-0944-B400_B.11-21 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.8 Group Mills_D o.w. 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260518-0944-B400_B.11-21/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260518-0944-B400_B.11-21/12/pdata/1/peaks!
21 09:49:07 20260518-0944-B400_B.11-21 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.8 Group Mills_D o.w. 60C
21 09:45:25 20260518-0944-B400_B.11-21 10 H1_Day g36620hh + + - + + + + Ref HH38.8 Group Mills_D o.w. 60C
4 09:38:10 20260518-0934-B400_B.11-4 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-825 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:32:19 20260518-0930-B400_B.11-3 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-220 recolumn Group James_M
2 09:29:52 20260518-0924-B400_B.11-2 30010231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-001 Group Abbenseth_J JA-SiS-III-001 P(NNN) + Anisidine - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:25:41 20260518-0924-B400_B.11-2 30010201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-001 Group Abbenseth_J JA-SiS-III-001 P(NNN) + Anisidine - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260505-1014-B400_B.11-1 22 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/22/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/22/pdata/1/peaks No peak is found in the specified ranges!
20 03:04:05 20260518-0149-B400_B.11-20 11 C13_CPD_Night1024 m09677nb + + - + + + + Ref 4om py zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 02:07:24 20260518-0045-B400_B.11-17 11 C13_CPD_Night1024 m09677nb + + - + + + + Ref naph zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 01:52:29 20260518-0149-B400_B.11-20 10 H1_Night128 m09677nb + + - + + + + Ref 4om py zi Group Greaney_M
19 01:38:04 20260518-0056-B400_B.11-18 20 H1_Night128 m09677nb + + - + + + + Ref naph zk Group Greaney_M
18 01:23:35 20260518-0056-B400_B.11-18 10 H1_Night128 m09677nb + + - + + + + Ref biphenyl zk Group Greaney_M
8 01:20:01 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 11h Group Leigh_D ALF140 2 fueled 11h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 01:16:21 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 11h Group Leigh_D ALF139 fuelled 11h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 01:12:47 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 11h Group Leigh_D ALF138 2 fuelled 11h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 01:09:15 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 10h30 Group Leigh_D ALF143 fuelled 10h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 01:05:40 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 10h30 Group Leigh_D ALF142 fuelled 10h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 01:01:02 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 10h30 Group Leigh_D ALF141 fuelled 10h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 00:46:17 20260518-0045-B400_B.11-17 10 H1_Night128 m09677nb + + - + + + + Ref naph zi Group Greaney_M
8 00:27:40 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 10h Group Leigh_D ALF140 2 fueled 10h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 00:23:59 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 10h Group Leigh_D ALF139 fuelled 10h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 00:20:20 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 10h Group Leigh_D ALF138 2 fuelled 10h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 00:16:48 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 9h30 Group Leigh_D ALF143 fuelled 9h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 00:12:58 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 9h30 Group Leigh_D ALF142 fuelled 9h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 00:08:37 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 9h30 Group Leigh_D ALF141 fuelled 9h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 22:38:55 20260517-1945-B400_B.11-12 22 H1_Night1024 m09677nb + + - + + + + Ref thiophene zi Group Greaney_M
16 22:35:22 20260517-2216-B400_B.11-16 10 H1_Day z92209cg + + - + + + + Ref ALF137 fuelled 60h Group Leigh_D ALF137 fuelled 60h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 22:30:58 20260517-2216-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALF134 fuelled 60h Group Leigh_D ALF134 fuelled 60h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 22:27:00 20260517-2215-B400_B.11-14 10 H1_Day z92209cg + + - + + + + Ref AL test M2PtCl2 Group Leigh_D AL test M2PtCl2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 22:12:42 20260517-2141-B400_B.11-10 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJp-DR-2-663-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 22:08:31 20260517-2141-B400_B.11-10 10 H1_Night a74776dr + + - + + + + Ref DJp-DR-2-663-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 22:03:28 20260517-2136-B400_B.11-9 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
5 21:58:08 20260517-2136-B400_B.11-5 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
8 21:54:34 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 7h30 Group Leigh_D ALF140 2 fueled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 21:50:56 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 7h30 Group Leigh_D ALF139 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 21:47:24 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 7h30 Group Leigh_D ALF138 2 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 21:43:44 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 7h30 Group Leigh_D ALF143 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 21:40:11 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 7h30 Group Leigh_D ALF142 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 21:35:27 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 7h30 Group Leigh_D ALF141 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 20:38:05 20260517-1945-B400_B.11-12 21 C13_CPD_Night1024 m09677nb + + - + + + + Ref thiophene zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 20:34:26 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 5h30 Group Leigh_D ALF140 2 fueled 5h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 20:30:41 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 5h30 Group Leigh_D ALF139 fuelled 5h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 20:27:08 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 5h30 Group Leigh_D ALF138 2 fuelled 5h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 20:23:36 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 5h30 Group Leigh_D ALF143 fuelled 5h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 20:20:03 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 5h30 Group Leigh_D ALF142 fuelled 5h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 20:15:31 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 5h30 Group Leigh_D ALF141 fuelled 5h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 20:01:25 20260517-1945-B400_B.11-12 20 H1_Night128 m09677nb + + - + + + + Ref thiophene zi Group Greaney_M
12 19:46:43 20260517-1945-B400_B.11-12 10 H1_Night128 m09677nb + + - + + + + Ref naph zi Group Greaney_M
11 19:00:27 20260517-1757-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref SFF42_17-05 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 18:56:20 20260517-1710-B400_B.11-59 10 H1_Day a53046hl + + - + + + + Ref mc090-mes-et20-gighrf-p Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 18:52:54 20260517-1622-B400_B.11-5 10 H1_Day a53046hl + + - + + + + Ref mc090-et20run-p Group Leigh_D
10 18:45:44 20260517-1548-B400_B.11-10 10 H1_Day z88883sp + + - + + + + Ref SP423h Group Romanov_A Flash column MeOH eluted sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 18:42:01 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 4h Group Leigh_D ALF140 2 fueled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 18:38:19 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 4h Group Leigh_D ALF139 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 18:34:43 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 4h Group Leigh_D ALF138 2 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 18:31:07 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 4h Group Leigh_D ALF143 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 18:27:32 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 4h Group Leigh_D ALF142 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 18:23:01 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 4h Group Leigh_D ALF141 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 18:19:15 20260517-1548-B400_B.11-9 10 H1_Day z88883sp + + - + + + + Ref SP417i Group Romanov_A CV sample ether extracted pentane washed
60 18:15:01 20260517-1736-B400_B.11-60 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
8 18:11:21 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 3h30 Group Leigh_D ALF140 2 fueled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 18:07:50 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 3h30 Group Leigh_D ALF139 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 18:04:09 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 3h30 Group Leigh_D ALF138 2 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 18:00:31 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 3h30 Group Leigh_D ALF143 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 17:56:53 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 3h30 Group Leigh_D ALF142 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 17:52:14 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 3h30 Group Leigh_D ALF141 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 17:38:40 20260517-1449-B400_B.11-58 16 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-659-1 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
58 17:03:49 20260517-1449-B400_B.11-58 15 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-659-1 Group Procter_D
58 16:44:31 20260517-1449-B400_B.11-58 14 H1_C13_HSQC_US_Night a74776dr + + - + + + + Ref DJP-DR-2-659-1 Group Procter_D
8 16:40:50 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 2h Group Leigh_D ALF140 2 fueled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 16:37:14 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 2h Group Leigh_D ALF139 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:33:38 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 2h Group Leigh_D ALF138 2 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 16:30:02 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 2h Group Leigh_D ALF143 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 16:26:27 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 2h Group Leigh_D ALF142 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 16:21:51 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 2h Group Leigh_D ALF141 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 16:19:37 20260517-1449-B400_B.11-58 13 H1_Night a74776dr - + - - - + + Ref DJP-DR-2-659-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 16:12:10 20260517-1449-B400_B.11-58 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-659-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 16:05:31 20260517-1538-B400_B.11-5 13 F19_NoCPD_Night d93111sd - + - - - + + Ref IL-SD-411b Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5 15:57:42 20260517-1538-B400_B.11-5 12 H1_Night d93111sd + + - + + + + Ref IL-SD-411b Group Larrosa_I
8 15:54:03 20260517-1537-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fueled 1h30 Group Leigh_D ALF140 2 fueled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 15:50:29 20260517-1537-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 1h30 Group Leigh_D ALF139 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 15:46:51 20260517-1536-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 1h30 Group Leigh_D ALF138 2 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 15:43:17 20260517-1513-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 1h Group Leigh_D ALF143 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 15:39:43 20260517-1512-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 1h Group Leigh_D ALF142 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:35:26 20260517-1512-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 1h Group Leigh_D ALF141 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 15:26:28 20260517-1425-B400_B.11-56 10 H1_Day z92209cg x - - - - - - Ref ALF140 2 fuelled 1h Group Leigh_D ALF140 2 fuelled 1h WebService Error: 103.310.191:Busy:Changer has been busy for the past 5 minutes. Cannot transfer the sample.
55 15:21:09 20260517-1424-B400_B.11-55 10 H1_Day z92209cg x - - - - - - Ref ALF139 fuelled 1h Group Leigh_D ALF139 fuelled 1h WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
54 15:20:04 20260517-1423-B400_B.11-54 10 H1_Day z92209cg - - - - - - - Ref ALF138 2 fuelled 1h Group Leigh_D ALF138 2 fuelled 1h
59 15:15:33 20260517-1459-B400_B.11-59 10 H1_Night a53046hl + + - + + + + Ref QBB-G65-postwu Group Leigh_D
58 15:00:32 20260517-1449-B400_B.11-58 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-659-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 14:54:55 20260517-1449-B400_B.11-58 10 H1_Day16 a74776dr + + - + + + + Ref DJP-DR-2-659-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:48:23 20260517-1430-B400_B.11-57 10 H1_Day z92209cg + + - + + + + Ref GCU-Ar-005-10C-1day Group Leigh_D
60 14:44:54 20260517-1428-B400_B.11-60 10 H1_Day z92209cg + + - + + + + Ref ALF143 fuelled 5 min Group Leigh_D ALF143 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 14:41:19 20260517-1427-B400_B.11-59 10 H1_Day z92209cg + + - + + + + Ref ALF142 fuelled 5 min Group Leigh_D ALF142 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 14:37:40 20260517-1426-B400_B.11-58 10 H1_Day z92209cg + + - + + + + Ref ALF141 fuelled 5 min Group Leigh_D ALF141 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 14:33:58 20260517-1425-B400_B.11-56 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 fuelled 5min Group Leigh_D ALF140 2 fuelled 5min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 14:30:24 20260517-1424-B400_B.11-55 10 H1_Day z92209cg + + - + + + + Ref ALF139 fuelled 5 min Group Leigh_D ALF139 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 14:26:19 20260517-1423-B400_B.11-54 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 fuelled 5 min Group Leigh_D ALF138 2 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:21:25 20260517-1420-B400_B.11-53 10 H1_Day a53046hl + + - + + + + Ref mc090mes-runrp-p Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:17:15 20260517-1413-B400_B.11-52 10 H1_Day z92209cg + + - + + + + Ref GC-SP-C18-4C Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 14:13:48 20260517-1412-B400_B.11-51 10 H1_Day z92209cg + + - + + + + Ref GC-SP-C8-4C Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 14:04:21 20260517-1350-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF143 prefuel Group Leigh_D ALF143 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 14:00:50 20260517-1350-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF142 prefuel Group Leigh_D ALF142 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 13:56:27 20260517-1349-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF138 2 prefuel Group Leigh_D ALF138 2 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 13:53:42 20260517-1346-B400_B.11-8 30010131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-III-001 Group Abbenseth_J JA-SiS-III-001 P(NNN) p-Anisidine - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 13:49:04 20260517-1346-B400_B.11-8 30010101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-III-001 Group Abbenseth_J JA-SiS-III-001 P(NNN) p-Anisidine - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 13:39:35 20260517-1327-B400_B.11-7 10 H1_Day a53046hl + + - + + + + Ref QBB-G65-1hrs Group Leigh_D
6 13:37:33 20260517-1325-B400_B.11-5 21 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-400r Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
6 13:33:19 20260517-1325-B400_B.11-5 20 H1_Day16 d93111sd + + - + + + + Ref IL-SD-400r Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:31:24 20260517-1325-B400_B.11-5 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-425r Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
5 13:27:00 20260517-1325-B400_B.11-5 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-425r Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 13:18:18 20260517-1317-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF140 2 prefuel Group Leigh_D ALF140 2 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:19:27 20260517-1211-B400_B.11-3 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD0416r Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 12:17:25 20260517-1211-B400_B.11-2 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-423 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
2 12:13:06 20260517-1211-B400_B.11-2 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-423 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260505-1014-B400_B.11-1 21 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
35 02:54:37 20260516-2017-B400_B.11-35 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260516 Cu disalen ligand -1.3v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 02:47:37 20260516-2017-B400_B.11-34 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260516 Cu disalen ligand -1.2v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 02:41:14 20260516-2017-B400_B.11-33 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260516 Cu disalen ligand -1.1v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 02:34:04 20260516-2017-B400_B.11-32 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260516 Cu disalen ligand -1.0v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 02:26:40 20260516-2016-B400_B.11-31 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260516 Cu disalen ligand -0.9v Group 20260516 Cu disalen ligand -0.8v sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 02:18:53 20260516-2016-B400_B.11-30 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260516 Cu disalen ligand -0.8v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 01:25:07 20260516-1851-B400_B.11-25 11 C13_CPD_Night1024 d93111sd - + - - - + + Ref IL-SD-410long Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 01:20:05 20260516-1851-B400_B.11-25 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-410long Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 00:26:20 20260516-1845-B400_B.11-50 11 C13_CPD_Night1024 v73981ac - + - - - + + Ref ILAC208A Group Larrosa_I
50 00:20:34 20260516-1845-B400_B.11-50 10 H1_Day16 v73981ac + + - + + + + Ref ILAC208A Group Larrosa_I
51 23:23:36 20260516-1826-B400_B.11-51 10 C13_CPD_Night1024 a74776dr + + - + + + + Ref vinyl zi Group Procter_D
52 22:27:45 20260516-1657-B400_B.11-52 10 C13_CPD_Night1024 m09677nb + + - + + + + Ref 4ome ph py zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 22:13:24 20260516-2102-B400_B.11-36 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-659-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 22:08:22 20260516-2102-B400_B.11-36 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-659-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 22:03:35 20260516-2016-B400_B.11-29 10 H1_Night f56027ch + + - + + + + Ref 20260515 deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 21:58:13 20260516-1859-B400_B.11-28 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-fenofibraterxn Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 21:53:48 20260516-1858-B400_B.11-27 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
26 21:48:36 20260516-1858-B400_B.11-26 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze-diacid Group Procter_D
49 21:44:57 20260516-1625-B400_B.11-49 10 H1_Day z92209cg + + - + + + + Ref ALF141 prefuel 2 Group Leigh_D ALF141 prefuel 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 21:40:25 20260516-1624-B400_B.11-48 10 H1_Day z92209cg + + - + + + + Ref ALF139 prefuel 2 Group Leigh_D ALF139 prefuel 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 21:32:05 20260516-1735-B400_B.11-59 20 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-042F Group Trowbridge_A
59 21:24:37 20260516-1735-B400_B.11-59 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-042E Group Trowbridge_A
55 21:17:16 20260516-1734-B400_B.11-53 30 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-042C Group Trowbridge_A
54 21:10:17 20260516-1734-B400_B.11-53 20 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-042B Group Trowbridge_A
53 21:04:26 20260516-1734-B400_B.11-53 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-03-042A Group Trowbridge_A
24 20:57:44 20260516-1708-B400_B.11-24 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-unknowm-CD3CN Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24 20:43:23 20260516-1708-B400_B.11-24 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-unknowm-CD3CN Group Greaney_M
24 20:38:58 20260516-1708-B400_B.11-24 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-unknowm-CD3CN Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 20:32:17 20260516-1708-B400_B.11-23 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-Canagli-Zincke-CD3CN Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23 20:17:56 20260516-1708-B400_B.11-23 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-Canagli-Zincke-CD3CN Group Greaney_M
23 20:13:48 20260516-1708-B400_B.11-23 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-Canagli-Zincke-CD3CN Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 20:09:26 20260516-1707-B400_B.11-22 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-nicotine-Zincke-CD3CN Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 20:02:42 20260516-1706-B400_B.11-21 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-Abirat-Zincke-CD3CN Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21 19:48:21 20260516-1706-B400_B.11-21 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-Abirat-Zincke-CD3CN Group Greaney_M
21 19:43:33 20260516-1706-B400_B.11-21 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-Abirat-Zincke-CD3CN Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 19:38:01 20260516-1705-B400_B.11-47 10 H1_Night e72206ov + + - + + + + Ref ov-004-c, post col oil Group De bo_G
20 19:31:17 20260516-1703-B400_B.11-20 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-isox-Zincke-CD3CN Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
20 19:16:56 20260516-1703-B400_B.11-20 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-isox-Zincke-CD3CN Group Greaney_M
20 19:12:32 20260516-1703-B400_B.11-20 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-isox-Zincke-CD3CN Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 19:05:49 20260516-1703-B400_B.11-19 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-4-CN-3-Cl-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
19 18:51:28 20260516-1703-B400_B.11-19 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-4-CN-3-Cl-Zincke Group Greaney_M
19 18:47:23 20260516-1703-B400_B.11-19 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-4-CN-3-Cl-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 18:40:41 20260516-1702-B400_B.11-18 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-Ndrug-Zincke-CD3CN Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18 18:26:20 20260516-1702-B400_B.11-18 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-Ndrug-Zincke-CD3CN Group Greaney_M
18 18:21:41 20260516-1702-B400_B.11-18 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-Ndrug-Zincke-CD3CN Group Greaney_M
17 18:14:59 20260516-1701-B400_B.11-17 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-2-Ph-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
17 18:00:43 20260516-1701-B400_B.11-17 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-2-Ph-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 17:55:25 20260516-1701-B400_B.11-17 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-2-Ph-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 17:41:09 20260516-1641-B400_B.11-51 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-me-leflun Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 17:35:29 20260516-1641-B400_B.11-51 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-me-leflun Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 17:21:12 20260516-1641-B400_B.11-50 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1038-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 17:15:29 20260516-1641-B400_B.11-50 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1038-ch Group Procter_D
46 17:09:45 20260516-1616-B400_B.11-46 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1149-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 15:39:22 20260516-1318-B400_B.11-45 12 H1_Night1024 m09677nb + + - + + + + Ref vinyl zi Group Greaney_M
14 15:29:15 20260516-1503-B400_B.11-14 10 H1_Day z92209cg + + - + + + + Ref ALF141 prefuel Group Leigh_D ALF141 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 15:25:49 20260515-1854-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref ALF140 prefuel Group Leigh_D ALF140 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 15:22:02 20260515-1854-B400_B.11-12 10 H1_Day z92209cg + + - + + + + Ref ALF139 prefuel Group Leigh_D ALF139 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:18:23 20260515-1853-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF138 prefuel Group Leigh_D ALF138 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 15:14:55 20260516-1500-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF134 fuelled 28h Group Leigh_D ALF134 fuelled 28h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:11:14 20260516-1459-B400_B.11-18 10 H1_Day z92209cg + + - + + + + Ref ALF133 fuelled 28h Group Leigh_D ALF133 fuelled 28h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 15:07:39 20260516-1459-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF132 fuelled 28h Group Leigh_D ALF132 fuelled 28h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:04:05 20260515-1852-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF137 fueled 19h Group Leigh_D ALF137 fueled 19h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 15:00:34 20260515-1851-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF136 fueled 19h Group Leigh_D ALF136 fueled 19h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:55:45 20260515-1851-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF135 fueled 19h Group Leigh_D ALF135 fueled 19h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 14:34:03 20260516-1318-B400_B.11-45 20 H1_Night128 m09677nb + + - + + + + Ref thiophene zi Group Greaney_M
45 13:37:13 20260516-1318-B400_B.11-45 11 C13_CPD_Night1024 m09677nb + + - + + + + Ref vinyl zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 13:19:04 20260516-1318-B400_B.11-45 10 H1_Night128 m09677nb + + - + + + + Ref vinyl zi Group Greaney_M
1 09:00:00 20260505-1014-B400_B.11-1 20 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 04:58:34 20260515-2018-B400_B.11-44 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D 16 may sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 04:23:25 20260515-1806-B400_B.11-30 1010205 H1_C13_HMBC_Night w05220ss - + - - - + + Ref JA-CD-I-01 Group Abbenseth_J JA-CD-I-01 H3NNN FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 04:08:03 20260515-1806-B400_B.11-30 1010204 H1_C13_HSQC_Night w05220ss - + - - - + + Ref JA-CD-I-01 Group Abbenseth_J JA-CD-I-01 H3NNN FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 03:54:37 20260515-1806-B400_B.11-30 1010203 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-CD-I-01 Group Abbenseth_J JA-CD-I-01 H3NNN FC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 03:40:21 20260515-1806-B400_B.11-30 1010202 C13_CPD_Night256 w05220ss - + - - - + + Ref JA-CD-I-01 Group Abbenseth_J JA-CD-I-01 H3NNN FC sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 03:35:05 20260515-1806-B400_B.11-30 1010201 H1_Night w05220ss + + - + + + + Ref JA-CD-I-01 Group Abbenseth_J JA-CD-I-01 H3NNN FC sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 02:41:20 20260515-1651-B400_B.11-23 11 C13_CPD_Night1024 m09677nb - + - - - + + Ref 4ome ph py zi Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 02:26:32 20260515-1651-B400_B.11-23 10 H1_Night128 m09677nb + + - + + + + Ref 4ome ph py zi Group Greaney_M
22 01:38:08 20260515-1636-B400_B.11-22 15 H1_NOESY_US_Night z40973rs - + - - - + + Ref gdb-rs-240 cis full char Group De bo_G
22 01:02:59 20260515-1636-B400_B.11-22 14 H1_C13_HMBC_Night z40973rs - + - - - + + Ref gdb-rs-240 cis full char Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
22 00:47:38 20260515-1636-B400_B.11-22 13 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-240 cis full char Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
22 00:34:08 20260515-1636-B400_B.11-22 12 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-240 cis full char Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
22 00:19:52 20260515-1636-B400_B.11-22 11 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-240 cis full char Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 00:15:38 20260515-1636-B400_B.11-22 10 H1_Night z40973rs + + - + + + + Ref gdb-rs-240 cis full char Group De bo_G
21 00:02:55 20260515-1632-B400_B.11-21 16 H1_NOESY_Night z40973rs - + - - - + + Ref gdb-rs-242 cis crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 23:25:25 20260515-1632-B400_B.11-21 15 H1_C13_HMBC_Night z40973rs + + - + + + + Ref gdb-rs-242 cis crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 23:11:52 20260515-1453-B400_B.11-14 15 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1678 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 22:59:01 20260515-1453-B400_B.11-14 14 H1_NOESY_Night mbdxkrn2 - + - - - + + Ref GDB-RN1678 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 22:43:40 20260515-1453-B400_B.11-14 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1678 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 22:08:31 20260515-1453-B400_B.11-14 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1678 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
14 22:06:17 20260515-1453-B400_B.11-14 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1678 Full Char - CDCl3 Group De bo_G
14 21:08:41 20260515-1453-B400_B.11-14 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1678 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 21:04:55 20260515-2017-B400_B.11-43 10 H1_Day a53046hl + + - + + + + Ref ph-703-dep Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 21:00:59 20260515-2016-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref ph-3tpt-pt Group Leigh_D 6h 150 c sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 20:57:33 20260515-2014-B400_B.11-41 10 H1_Day a53046hl + + - + + + + Ref ph-704 Group Leigh_D
5 20:42:12 20260515-1446-B400_B.11-5 14 H1_C13_HSQC_Night v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 full characterisation mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 20:04:40 20260515-1446-B400_B.11-5 13 H1_C13_HMBC_Night v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 full characterisation mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
8 20:01:16 20260515-1852-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF137 fueled 10 min Group Leigh_D ALF137 fueled 10 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 19:57:47 20260515-1851-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF136 fueled 10 min Group Leigh_D ALF136 fueled 10 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 19:53:10 20260515-1851-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF135 fueled 10min Group Leigh_D ALF135 fueled 10min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 19:37:09 20260515-1446-B400_B.11-5 12 H1_COSY_HiRes_Night v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 full characterisation mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 19:33:09 20260515-1916-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALP3PtCl2 in MeCN 2 Group Leigh_D ALP3PtCl2 in MeCN 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 19:29:27 20260515-1854-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref ALF134 fuelled 8h30 Group Leigh_D ALF134 fuelled 8h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 19:25:56 20260515-1854-B400_B.11-12 10 H1_Day z92209cg + + - + + + + Ref ALF133 fuelled 8h30 Group Leigh_D ALF133 fuelled 8h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 19:22:26 20260515-1853-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF132 fuelled 8h30 Group Leigh_D ALF132 fuelled 8h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 19:18:50 20260515-1852-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF137 prefuel Group Leigh_D ALF137 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 19:15:18 20260515-1851-B400_B.11-7 10 H1_Day z92209cg + + - + + + + Ref ALF136 prefuel Group Leigh_D ALF136 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 19:10:44 20260515-1851-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF135 prefuel Group Leigh_D ALF135 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 18:40:34 20260515-1446-B400_B.11-5 11 C13_DEPTQ_Night v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 full characterisation
29 18:35:55 20260515-1742-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref ALP3PtCl2 in MeCN Group Leigh_D ALP3PtCl2 in MeCN sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 17:37:42 20260514-1718-B400_B.11-28 12 C13_CPD_Night1024 j26946hi + + - + + + + Ref AT-HI-1-59 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 17:31:55 20260515-1714-B400_B.11-24 10 H1_Day a53046hl + + - + x + + Ref QBB-G64-F30 Group Leigh_D topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:14:24 20260515-1632-B400_B.11-21 14 H1_C13_HSQC_Night z40973rs + + - + + + + Ref gdb-rs-242 cis crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
25 17:08:52 20260515-1701-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref QBB-G64-F32 Group Leigh_D
24 17:01:37 20260515-1700-B400_B.11-24 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-040-F30-41 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 16:47:21 20260515-1632-B400_B.11-21 13 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-242 cis crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 16:45:03 20260515-1632-B400_B.11-21 12 H1_Night z40973rs - + - - - + + Ref gdb-rs-242 cis crude Group De bo_G
21 16:39:10 20260515-1632-B400_B.11-21 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-242 cis crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 16:34:20 20260515-1632-B400_B.11-21 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-242 cis crude Group De bo_G
10 16:16:02 20260515-1602-B400_B.11-10 12 H1_COSY_Day f09303eg - + - - - + + Ref EG66 Group Webb_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
10 16:14:00 20260515-1602-B400_B.11-10 11 C13_CPD_Day f09303eg - + - - - + + Ref EG66 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 16:09:59 20260515-1602-B400_B.11-10 10 H1_Day f09303eg + + - + + + + Ref EG66 Group Webb_S
3 16:06:18 20260515-1601-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALM2PtCl2 in DMSO Group Leigh_D ALM2PtCl2 in DMSO sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 16:01:11 20260515-1600-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALP3 in MeCN Group Leigh_D ALP3 in MeCN sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:48:09 20260515-1541-B400_B.11-9 11 H1_COSY_Day p13528bg - + - - - + + Ref BG-023a) crude post wash Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
9 15:42:09 20260515-1541-B400_B.11-9 10 H1_Day16 p13528bg + + - + + + + Ref BG-023a) crude post wash Group De bo_G
18 15:31:59 20260515-1531-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1130-meod Group Procter_D
19 15:22:32 20260515-1514-B400_B.11-19 11 F19_NoCPD_Day b28949om - + - - - + + Ref OJM256 Group Goodwin_C log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
19 15:18:46 20260515-1514-B400_B.11-19 10 H1_Wide_Day b28949om + + - + + + + Ref OJM256 Group Goodwin_C
18 15:13:46 20260515-1512-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1130-aw Group Procter_D
5 15:04:30 20260515-1446-B400_B.11-5 10 H1_Night v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 full characterisation
6 14:58:49 20260515-1451-B400_B.11-6 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1681 Column Top Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 14:53:50 20260515-1446-B400_B.11-4 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-109 Group Mills_D La(Cp')3
4 14:50:13 20260515-1446-B400_B.11-4 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-109 Group Mills_D La(Cp')3
18 14:39:45 20260515-1430-B400_B.11-18 11 H1_Day16 h68355ac - + - - - + + Ref djp-oc-1130-mecn Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 14:35:49 20260515-1430-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1130-mecn Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 14:32:00 20260515-1428-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref AL113 2 after EtOAc wash Group Leigh_D AL113 2 after EtOAc wash sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 14:27:01 20260515-1425-B400_B.11-16 1010101 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-01 Group Abbenseth_J JA-DC-I-01 H3NNN after hex recry sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 14:23:32 20260515-1333-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALM2PtCl2 DMSO 2 Group Leigh_D ALM2PtCl2 DMSO 2
25 14:19:42 20260515-1405-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref ph-3tpt-pt Group Leigh_D 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:06:48 20260515-1401-B400_B.11-24 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl823E Group Larrosa_I
23 14:02:07 20260515-1346-B400_B.11-23 10 H1_Day16 p13528bg + + - + + + + Ref BG-003c) crude after 24h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 13:56:57 20260515-1345-B400_B.11-21 20 H1_Day16 p13528bg + + - + + + + Ref BG-023b) DCM ext Group De bo_G
21 13:51:20 20260515-1345-B400_B.11-21 10 H1_Day16 p13528bg + + - + + + + Ref BG-023b) EtOAc ext Group De bo_G
20 13:47:47 20260515-1336-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF134 fuelled 3h Group Leigh_D ALF134 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 13:44:15 20260515-1335-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF133 fuelled 3h Group Leigh_D ALF133 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 13:40:04 20260515-1335-B400_B.11-18 10 H1_Day z92209cg + + - + + + + Ref ALF132 fuelled 3h Group Leigh_D ALF132 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 13:36:37 20260515-1333-B400_B.11-15 10 H1_Day z92209cg + + - + + + + Ref ALM2PtCl2 DMSO Group Leigh_D ALM2PtCl2 DMSO
14 13:33:17 20260515-1332-B400_B.11-14 10 H1_Day z92209cg + + - + + + + Ref ALM2 DMSO Group Leigh_D ALM2 DMSO
13 13:18:48 20260515-1244-B400_B.11-11 30 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-041F Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 13:13:04 20260515-1244-B400_B.11-11 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-041E Group Trowbridge_A
11 13:07:38 20260515-1244-B400_B.11-11 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-041D Group Trowbridge_A
7 13:01:37 20260515-1244-B400_B.11-5 30 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-041C Group Trowbridge_A
6 12:55:33 20260515-1244-B400_B.11-5 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-041B Group Trowbridge_A
5 12:49:56 20260515-1244-B400_B.11-5 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-041A Group Trowbridge_A
4 12:46:39 20260515-1237-B400_B.11-4 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D 15 may sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:40:59 20260515-1230-B400_B.11-3 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1130-d2o Group Procter_D
2 12:38:57 20260515-1227-B400_B.11-2 13 F19_NoCPD_Day q50682hk - + - - - + + Ref HK-DW-140-F Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
2 12:36:12 20260515-1227-B400_B.11-2 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-DW-140-F Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
2 12:33:15 20260515-1227-B400_B.11-2 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-DW-140-F Group Coram_M sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260515-1227-B400_B.11-2/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260515-1227-B400_B.11-2/11/pdata/1/peaks!
2 12:28:10 20260515-1227-B400_B.11-2 10 H1_Day q50682hk + + - + + + + Ref HK-DW-140-F Group Coram_M
8 12:08:34 20260515-1203-B400_B.11-8 10 H1_Day j40457bh + + - + + + + Ref bh se 38 c1 s3 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 12:04:01 20260515-1202-B400_B.11-7 10 H1_Day j40457bh + + - + + + + Ref bh se 38 c1 s2 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 11:12:34 20260515-1059-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF134 fuelled 5 min Group Leigh_D ALF134 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 11:08:54 20260515-1058-B400_B.11-5 10 H1_Day z92209cg + + - + + + + Ref ALF133 fuelled 5 min Group Leigh_D ALF133 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 11:03:29 20260515-1057-B400_B.11-4 10 H1_Day z92209cg + + - + + + + Ref ALF132 fuelled 5min Group Leigh_D ALF132 fuelled sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 11:01:24 20260515-1047-B400_B.11-3 13 F19_NoCPD_Day q50682hk - + - - - + + Ref HK-DW-140-CF3 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
3 10:58:38 20260515-1047-B400_B.11-3 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-DW-140-CF3 Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
3 10:56:32 20260515-1047-B400_B.11-3 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-DW-140-CF3 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260515-1047-B400_B.11-3/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260515-1047-B400_B.11-3/11/pdata/1/peaks!
3 10:51:07 20260515-1047-B400_B.11-3 10 H1_Day q50682hk + + - + + + + Ref HK-DW-140-CF3 Group Coram_M
2 10:47:12 20260515-1045-B400_B.11-2 10 H1_Day q50682hk + + - x - - - Ref HK-DW-140-F Group Coram_M Lock failed after multiple attempts, lock: Command 'lock CD2Cl2' failed. Lock is PENDING, Command 'lock CD2Cl2' failed. Lock is OFF
40 10:19:15 20260515-1012-B400_B.11-40 10 H1_Day16 p13528bg + + - + + + + Ref BG-023b) crude 16h Group De bo_G
38 10:04:12 20260514-1845-B400_B.11-38 11 C13_CPD_Night256 r31223dd - + - - - + + Ref N-benzyl Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 09:59:26 20260514-1845-B400_B.11-38 10 H1_Night r31223dd + + - + + + + Ref N-benzyl Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 09:57:45 20260515-0925-B400_B.11-39 13 B11_NoCPD_Day g36620hh - + - - - + + Ref HH38.7 Group Mills_D 3d at 60C log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260515-0925-B400_B.11-39/13/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260515-0925-B400_B.11-39/13/pdata/1/peaks!
39 09:52:10 20260515-0925-B400_B.11-39 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.7 Group Mills_D 3d at 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260515-0925-B400_B.11-39/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260515-0925-B400_B.11-39/12/pdata/1/peaks!
39 09:47:09 20260515-0925-B400_B.11-39 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.7 Group Mills_D 3d at 60C
39 09:43:23 20260515-0925-B400_B.11-39 10 H1_Day g36620hh + + - + + + + Ref HH38.7 Group Mills_D 3d at 60C
1 09:27:24 20260505-1014-B400_B.11-1 19 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/19/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/19/pdata/1/peaks No peak is found in the specified ranges!
38 07:56:08 20260514-1845-B400_B.11-38 12 P31_CPD_Night r31223dd + + - + + + + Ref N-benzyl Group Schroder_M sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
37 07:42:59 20260514-1833-B400_B.11-37 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 437 (crude) Group Procter_D
36 07:30:31 20260514-1833-B400_B.11-36 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 436 (crude) Group Procter_D
35 07:17:39 20260514-1832-B400_B.11-35 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 435 (crude) Group Procter_D
24 06:42:29 20260514-1810-B400_B.11-24 13 H1_C13_HMBC_Night y52364mw - + - - - + + Ref GDB-MJ-D7-full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 06:27:08 20260514-1810-B400_B.11-24 12 H1_C13_HSQC_Night y52364mw - + - - - + + Ref GDB-MJ-D7-full Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 05:33:23 20260514-1810-B400_B.11-24 11 C13_CPD_Night1024 y52364mw - + - - - + + Ref GDB-MJ-D7-full Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 05:27:16 20260514-1810-B400_B.11-24 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D7-full Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 05:21:37 20260514-1747-B400_B.11-34 1040201 H1_Day16 w05220ss + + - + + + + Ref JA-CD-I-04 Group Abbenseth_J JA-CD-I-04 after recry
33 04:27:52 20260514-1744-B400_B.11-33 2200207 C13_CPD_Night1024 w05220ss - + - - - + + Ref JA-SiS-II-20 Group Abbenseth_J JA-SiS-II-20 DC - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 03:52:43 20260514-1744-B400_B.11-33 2200206 H1_C13_HMBC_Night w05220ss - + - - - + + Ref JA-SiS-II-20 Group Abbenseth_J JA-SiS-II-20 DC - 1H mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 03:37:21 20260514-1744-B400_B.11-33 2200205 H1_C13_HSQC_Night w05220ss - + - - - + + Ref JA-SiS-II-20 Group Abbenseth_J JA-SiS-II-20 DC - 1H mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 03:23:46 20260514-1744-B400_B.11-33 2200204 H1_COSY_HiRes_Night w05220ss - + - - - + + Ref JA-SiS-II-20 Group Abbenseth_J JA-SiS-II-20 DC - 1H mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
33 03:09:30 20260514-1744-B400_B.11-33 2200203 C13_CPD_Night256 w05220ss - + - - - + + Ref JA-SiS-II-20 Group Abbenseth_J JA-SiS-II-20 DC - 13C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 03:03:57 20260514-1744-B400_B.11-33 2200202 H1_Night w05220ss + + - + + + + Ref JA-SiS-II-20 Group Abbenseth_J JA-SiS-II-20 DC - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 02:52:16 20260514-1535-B400_B.11-15 12 H1_Night128 h68355ac - + - - - + + Ref djp-oc-1052-ac-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 01:53:49 20260514-1535-B400_B.11-15 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref djp-oc-1052-ac-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 01:40:20 20260514-1456-B400_B.11-13 15 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Bottom Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
13 01:27:38 20260514-1456-B400_B.11-13 14 H1_NOESY_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Bottom Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
13 01:12:17 20260514-1456-B400_B.11-13 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Bottom Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
13 00:37:08 20260514-1456-B400_B.11-13 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Bottom Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
13 00:34:50 20260514-1456-B400_B.11-13 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Bottom Band Full Char - Acetone-d6 Group De bo_G
13 00:18:34 20260514-1456-B400_B.11-13 10 C13_CPD_Night256 mbdxkrn2 + + - + + + + Ref GDB-RN1675 Column Bottom Band Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 00:05:06 20260514-1455-B400_B.11-12 15 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Top Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 23:52:24 20260514-1455-B400_B.11-12 14 H1_NOESY_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Top Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 23:37:02 20260514-1455-B400_B.11-12 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Top Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 23:01:53 20260514-1455-B400_B.11-12 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Top Band Full Char - Acetone-d6 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 22:59:35 20260514-1455-B400_B.11-12 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1675 Column Top Band Full Char - Acetone-d6 Group De bo_G
12 22:42:51 20260514-1455-B400_B.11-12 10 C13_CPD_Night256 mbdxkrn2 + + - + + + + Ref GDB-RN1675 Column Top Band Full Char - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 22:39:17 20260514-2127-B400_B.11-56 10 H1_Day z92209cg + + - + + + + Ref ALF134 prefuel Group Leigh_D ALF134 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 22:35:39 20260514-2127-B400_B.11-55 10 H1_Day z92209cg + + - + + + + Ref ALF133 prefuel Group Leigh_D ALF133 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 22:31:16 20260514-2126-B400_B.11-54 10 H1_Day z92209cg + + - + + + + Ref ALF132 prefuel Group Leigh_D ALF132 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 22:19:38 20260513-2324-B400_B.11-53 12 H1_Night128 m09677nb - + - - - + + Ref 4 ph zi vial Group Greaney_M
53 21:22:12 20260513-2324-B400_B.11-53 11 C13_CPD_Night1024 m09677nb + + - + + + + Ref 4 ph zi vial Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 21:18:17 20260514-1729-B400_B.11-32 10 H1_Day z92209cg + + - + + + + Ref PH-3TPT-Pt-7h Group Leigh_D PH-3TPT-Pt-7h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 20:20:38 20260513-2111-B400_B.11-4 11 C13_CPD_Night1024 v73981ac + + - + + + + Ref ILAC206B-final Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 20:16:17 20260514-1830-B400_B.11-25 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-649 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 20:02:01 20260514-1830-B400_B.11-25 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-649 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 19:57:18 20260514-1830-B400_B.11-25 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-649 Group Procter_D
23 19:50:47 20260514-1808-B400_B.11-23 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-348-P4 Group De bo_G
22 19:44:58 20260514-1808-B400_B.11-22 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-348-P3 Group De bo_G
21 19:37:59 20260514-1808-B400_B.11-21 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-348-P2 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 19:32:31 20260514-1807-B400_B.11-20 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-348-P1 Group De bo_G
19 19:14:47 20260514-1749-B400_B.11-19 10 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-821-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 19:00:32 20260514-1748-B400_B.11-18 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-722-(b)-col Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 18:54:06 20260514-1748-B400_B.11-18 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-722-(b)-col Group Greaney_M
30 18:50:45 20260514-1727-B400_B.11-30 10 H1_Day z92209cg + + - + + + + Ref AL112 3 P3 end prod Group Leigh_D AL112 3 P3 end prod sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 18:47:42 20260514-1729-B400_B.11-32 10 H1_Day z92209cg + + - + + + + Ref PH-3TPT-Pt-7h Group Leigh_D PH-3TPT-Pt-7h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 18:44:15 20260514-1728-B400_B.11-31 10 H1_Day z92209cg + + - + + + + Ref AL113 2 P3PtCl2 end prod Group Leigh_D AL113 2 P3PtCl2 end prod sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 18:28:53 20260514-1504-B400_B.11-17 13 H1_C13_HSQC_Night f11141tm - + - - - + + Ref H2Salpn(CH3) HSQC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
17 18:15:25 20260514-1504-B400_B.11-17 12 H1_COSY_HiRes_Night f11141tm - + - - - + + Ref H2Salpn(CH3) COSY Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
17 18:01:09 20260514-1504-B400_B.11-17 11 C13_CPD_Night256 f11141tm - + - - - + + Ref H2Salpn(CH3) CNMR CPD ns256 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 17:46:50 20260514-1504-B400_B.11-17 10 H1_Night128 f11141tm + + - + + + + Ref H2Salpn(CH3) HNMR ns128 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 17:32:29 20260514-1723-B400_B.11-29 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1139-dry-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 17:26:40 20260514-1723-B400_B.11-29 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1139-dry-b Group Procter_D
28 17:24:40 20260514-1718-B400_B.11-28 11 F19_NoCPD_Day j26946hi - + - - - + + Ref AT-HI-1-59 Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
28 17:20:11 20260514-1718-B400_B.11-28 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-59 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 17:14:43 20260514-1711-B400_B.11-27 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-thiophenylisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:09:12 20260514-1706-B400_B.11-26 10 H1_Day m19368jb + + - + + + + Ref AK-JB59C Group Keerthi_A
25 17:03:44 20260514-1654-B400_B.11-25 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f1-2 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 16:49:29 20260514-1618-B400_B.11-23 11 C13_CPD_Night256 h68355ac - + - - - + + Ref MFG-AC-723-(a)-col Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 16:43:56 20260514-1618-B400_B.11-23 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-723-(a)-col Group Greaney_M
22 16:38:28 20260514-1618-B400_B.11-22 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-821-S2 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 16:32:37 20260514-1613-B400_B.11-21 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-240 sublimation Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
21 16:28:08 20260514-1613-B400_B.11-21 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-240 sublimation Group De bo_G
20 16:25:01 20260514-1605-B400_B.11-20 10 H1_Day e31374yl + + - + + + + Ref 2 Group Saunders_B sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 16:21:41 20260514-1604-B400_B.11-19 10 H1_Day e31374yl + + - + + + + Ref 1 Group Saunders_B sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 16:16:54 20260514-1602-B400_B.11-18 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f1-2 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 16:12:32 20260514-1504-B400_B.11-17 16 C13_DEPTQ_Day f11141tm - + - - - + + Ref H2Salpn(CH3) CNMR DEPTQ Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 16:08:05 20260514-1504-B400_B.11-17 15 C13_DEPT90_Day f11141tm - + - - - + + Ref H2Salpn(CH3) CNMR DEPT90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 16:01:09 20260514-1504-B400_B.11-17 14 C13_DEPT135_Day f11141tm + + - + + + + Ref H2Salpn(CH3) CNMR DEPT135 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 15:53:21 20260514-1535-B400_B.11-15 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1052-ac-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 15:48:19 20260514-1503-B400_B.11-14 10 H1_Day16 z92209cg + + - + + + + Ref sl-em-f1 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 15:42:50 20260514-1438-B400_B.11-11 10 H1_Day16 p13528bg + + - + + + + Ref BG-023a) crude 2h reflux Group De bo_G
10 15:37:01 20260514-1430-B400_B.11-10 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN 1-azidobutane crude - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:31:55 20260514-1430-B400_B.11-9 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1677 Crude - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:25:50 20260514-1430-B400_B.11-8 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1680 Column Bottom Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 15:20:41 20260514-1427-B400_B.11-7 10 H1_Day k04094yj + + - + + + + Ref VJ0390-35 Group Leigh_D
6 15:15:04 20260514-1426-B400_B.11-6 10 H1_Day k04094yj + + - + + + + Ref VJ0390-36-42 Group Leigh_D
5 15:11:27 20260514-1414-B400_B.11-5 10 H1_Day c96786as + + - + + + + Ref sjw-as-36-5 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 15:05:38 20260514-1358-B400_B.11-3 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-821-prep Group Greaney_M
2 15:00:50 20260514-1358-B400_B.11-2 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-818-redo-prep Group Greaney_M
60 14:56:20 20260514-1352-B400_B.11-60 10 H1_Day k04094yj + + - + + + + Ref VJ0374-mysterious sample Group Leigh_D
59 14:53:07 20260514-1308-B400_B.11-59 10 H1_Day z16689fe + + - + + + + Ref DJP FE 434 Group Procter_D COLUMNED sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 14:40:39 20260514-1253-B400_B.11-58 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl822F Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:28:12 20260514-1253-B400_B.11-57 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl822E Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 14:15:46 20260514-1253-B400_B.11-56 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl822D Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 14:03:21 20260514-1252-B400_B.11-52 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl822C Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 13:49:39 20260514-1252-B400_B.11-51 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl822B Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 13:36:17 20260514-1252-B400_B.11-50 10 H1_Quant_D1_25s_Day e03178pd + + - + + + + Ref IL-pdl822A Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 13:31:31 20260514-1246-B400_B.11-49 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-127-B Group Greaney_M
48 13:28:09 20260514-1246-B400_B.11-48 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-126-B Group Greaney_M
47 13:23:01 20260514-1244-B400_B.11-47 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1052-ac-s1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 13:18:13 20260514-1243-B400_B.11-46 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1052-ac-s2 Group Procter_D
45 13:15:09 20260514-1240-B400_B.11-45 10 H1_Day c96786as + + - + + + + Ref sjw-as-ll21-sq1 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 13:11:37 20260514-1240-B400_B.11-44 10 H1_Day c96786as + + - + + + + Ref sjw-as-37 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 13:07:59 20260514-1232-B400_B.11-43 10 H1_Day z92209cg + + - + + + + Ref ph-702-fuel Group Leigh_D 16h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 13:04:25 20260514-1231-B400_B.11-42 10 H1_Day z92209cg + + - + + + + Ref ph-701 Group Leigh_D 60 c 16h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 12:59:57 20260514-1229-B400_B.11-41 10 H1_Day z92209cg + + - + + + + Ref GCU-Ar-005-2d-0C Group Leigh_D
40 12:54:45 20260514-1156-B400_B.11-40 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-Thiophenylrxn Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 12:48:52 20260514-1154-B400_B.11-39 12 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-240 column top spot Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 12:46:09 20260514-1154-B400_B.11-39 11 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-240 column top spot Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 12:41:30 20260514-1154-B400_B.11-39 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-240 column top spot Group De bo_G
38 12:37:11 20260514-1147-B400_B.11-38 10 H1_Day16 p13528bg + + - + + + + Ref BG-003c) crude 24h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 12:35:17 20260514-1139-B400_B.11-35 31 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-427 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/d93111sd/nmr/20260514-1139-B400_B.11-35/31/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/d93111sd/nmr/20260514-1139-B400_B.11-35/31/pdata/1/peaks!
37 12:30:57 20260514-1139-B400_B.11-35 30 H1_Day16 d93111sd + + - + + + + Ref IL-SD-427 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 12:29:02 20260514-1139-B400_B.11-35 21 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-425 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
36 12:24:54 20260514-1139-B400_B.11-35 20 H1_Day16 d93111sd + + - + + + + Ref IL-SD-425 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 12:22:44 20260514-1139-B400_B.11-35 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-424 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
35 12:18:22 20260514-1139-B400_B.11-35 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-424 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 12:14:09 20260514-1136-B400_B.11-34 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1670 Column Fractions 15-17 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 12:09:17 20260514-1136-B400_B.11-33 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1670 Column Fractions 9-14 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 12:07:59 20260514-1132-B400_B.11-32 16 B11_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1132-B400_B.11-32/16/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1132-B400_B.11-32/16/pdata/1/peaks!
32 12:05:08 20260514-1132-B400_B.11-32 15 B11_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1132-B400_B.11-32/15/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1132-B400_B.11-32/15/pdata/1/peaks!
32 12:03:42 20260514-1132-B400_B.11-32 14 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 12:01:58 20260514-1132-B400_B.11-32 13 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 12:00:32 20260514-1132-B400_B.11-32 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 11:57:32 20260514-1132-B400_B.11-32 11 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 11:53:15 20260514-1132-B400_B.11-32 10 H1_Day16 z89001ep + + - + + + + Ref YBH4_BIPP(Ph)_ScU_Filt_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 11:51:57 20260514-1131-B400_B.11-31 16 B11_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1131-B400_B.11-31/16/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1131-B400_B.11-31/16/pdata/1/peaks!
31 11:49:05 20260514-1131-B400_B.11-31 15 B11_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1131-B400_B.11-31/15/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1131-B400_B.11-31/15/pdata/1/peaks!
31 11:47:40 20260514-1131-B400_B.11-31 14 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1131-B400_B.11-31/14/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260514-1131-B400_B.11-31/14/pdata/1/peaks!
31 11:45:56 20260514-1131-B400_B.11-31 13 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 11:44:30 20260514-1131-B400_B.11-31 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 11:41:36 20260514-1131-B400_B.11-31 11 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 11:37:35 20260514-1131-B400_B.11-31 10 H1_Day16 z89001ep + + - + + + + Ref YBH4_BIPP(Ph)_ScU_Dep_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 11:30:22 20260514-1101-B400_B.11-30 10 H1_Day w81028jj + + - + x + + Ref JQJ107.2 Group Webb_S topshim: TopshimFieldMap - no valid data in sample centre, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 11:24:37 20260514-1100-B400_B.11-20 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.6 Group Mills_D 2nd o.n. at 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260514-1100-B400_B.11-20/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260514-1100-B400_B.11-20/12/pdata/1/peaks!
20 11:20:10 20260514-1100-B400_B.11-20 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.6 Group Mills_D 2nd o.n. at 60C
20 11:16:44 20260514-1100-B400_B.11-20 10 H1_Day g36620hh + + - + + + + Ref HH38.6 Group Mills_D 2nd o.n. at 60C
19 11:10:43 20260514-1048-B400_B.11-19 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-thiophenylcheck Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 11:06:32 20260514-1036-B400_B.11-18 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-4045-v2-Control Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 11:00:42 20260514-1034-B400_B.11-17 11 H1_COSY_Day h68355ac - + - - - + + Ref djp-oc-1052-crude Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
17 10:56:43 20260514-1034-B400_B.11-17 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1052-crude Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 10:54:01 20260514-1013-B400_B.11-16 1690301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1690301 Group Abbenseth_J SiRi169 SbCyNNN IodobenzeneCF3 in DFB after 1 night 595nm topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
15 10:51:56 20260514-1012-B400_B.11-15 1680302 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1680301 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 xs in C6D6 after 1 night 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
15 10:48:43 20260514-1012-B400_B.11-15 1680301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1680301 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 xs in C6D6 after 1 night 595nm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 10:46:32 20260514-1011-B400_B.11-14 1670302 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1670301 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
14 10:42:58 20260514-1011-B400_B.11-14 1670301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1670301 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 1 night 595nm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 10:37:38 20260514-1003-B400_B.11-12 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-039 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 10:32:29 20260514-1003-B400_B.11-12 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-036D Group Trowbridge_A
11 10:27:02 20260514-1015-B400_B.11-11 10 H1_Day16 p13528bg + + - + + + + Ref BG-023a) crude 16h Group De bo_G
10 10:23:08 20260514-1010-B400_B.11-10 10 H1_Day e72206ov + + - + + + + Ref ov-010.6-d, dry EtOH im test 24h Group De bo_G
9 10:19:03 20260514-1008-B400_B.11-9 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1052-crude Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:13:29 20260514-1002-B400_B.11-7 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-036C Group Trowbridge_A
7 10:08:02 20260514-1002-B400_B.11-7 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-036B Group Trowbridge_A
6 10:02:41 20260514-1002-B400_B.11-6 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-036A Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:51:46 20260514-0948-B400_B.11-5 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1147b-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:47:24 20260514-0940-B400_B.11-3 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top upx2 + 80C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:44:16 20260514-0940-B400_B.11-3 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top upx2 + 80C
2 09:39:52 20260514-0938-B400_B.11-2 10 H1_Day16 z92209cg + + - + + + + Ref sl-pump Group Leigh_D
4 09:15:19 20260513-2111-B400_B.11-4 10 H1_Day16 v73981ac + + - + + + + Ref ILAC206B-final Group Larrosa_I
1 09:00:00 20260505-1014-B400_B.11-1 18 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 08:53:05 20260514-0800-B400_B.11-11 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-4040-XS-Rested Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 08:48:43 20260514-0800-B400_B.11-10 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-4040-Eq-Rested Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 08:43:26 20260514-0800-B400_B.11-9 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-SACMeOD Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 08:08:17 20260513-1935-B400_B.11-8 14 H1_C13_HMBC_Night z40973rs - + - - - + + Ref gdb-rs-237 column Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
8 07:52:56 20260513-1935-B400_B.11-8 13 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-237 column Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
8 07:39:27 20260513-1935-B400_B.11-8 12 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-237 column Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
8 07:25:10 20260513-1935-B400_B.11-8 11 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-237 column Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 07:19:28 20260513-1935-B400_B.11-8 10 H1_Night z40973rs + + - + + + + Ref gdb-rs-237 column Group De bo_G
7 06:44:19 20260513-1922-B400_B.11-7 14 H1_C13_HMBC_Night z40973rs - + - - - + + Ref gdb-rs-236 pure Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
7 06:28:57 20260513-1922-B400_B.11-7 13 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-236 pure Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
7 06:15:29 20260513-1922-B400_B.11-7 12 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-236 pure Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
7 06:01:13 20260513-1922-B400_B.11-7 11 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-236 pure Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 05:56:42 20260513-1922-B400_B.11-7 10 H1_Night z40973rs + + - + + + + Ref gdb-rs-236 pure Group De bo_G
5 05:53:06 20260513-1835-B400_B.11-5 10 H1_Day a53046hl + + - + + + + Ref QBB-G58-F6 Group Leigh_D
3 04:59:21 20260513-1745-B400_B.11-3 11 C13_CPD_Night1024 v73981ac - + - - - + + Ref ILAC206A-final Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 04:53:50 20260513-1745-B400_B.11-3 10 H1_Day16 v73981ac + + - + + + + Ref ILAC206A-final Group Larrosa_I
60 04:47:27 20260513-1743-B400_B.11-60 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-221 Group James_M
52 04:12:19 20260513-1637-B400_B.11-52 20 H1_C13_HMBC_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 03:56:56 20260513-1637-B400_B.11-52 19 H1_C13_HSQC_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 03:43:23 20260513-1637-B400_B.11-52 18 H1_COSY_HiRes_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
52 03:28:26 20260513-1637-B400_B.11-52 17 C13_CPD_Night256 r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/17/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/17/pdata/1/peaks!
52 03:25:41 20260513-1637-B400_B.11-52 16 H1_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/16/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/16/pdata/1/peaks!
52 03:18:53 20260513-1637-B400_B.11-52 15 F19_NoCPD_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
52 03:03:25 20260513-1637-B400_B.11-52 14 B11_NoCPD_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/14/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/14/pdata/1/peaks!
52 02:38:21 20260513-1637-B400_B.11-52 13 P31_NoCPD_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C
52 02:11:45 20260513-1637-B400_B.11-52 12 P31_Wide_Night r57145lg - + - - - + + Ref capg_LPG135_Data Group Goodwin_C
52 01:55:40 20260513-1637-B400_B.11-52 11 B11_CPD_Night r57145lg + + - + + + + Ref capg_LPG135_Data Group Goodwin_C pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/11/pdata/1/peaks!
49 00:59:35 20260513-1629-B400_B.11-49 11 C13_CPD_Night1024 j26946hi + + - + + + + Ref AT-HI-1-58 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 00:44:51 20260513-2324-B400_B.11-53 30 H1_Night128 m09677nb + + - + + + + Ref naph zi vial Group Greaney_M
54 00:30:49 20260513-2324-B400_B.11-53 20 H1_Night128 m09677nb + + - + + + + Ref 4 ome zi vial Group Greaney_M
53 00:16:01 20260513-2324-B400_B.11-53 10 H1_Night128 m09677nb + + - + + + + Ref 4 ph zi vial Group Greaney_M
46 23:18:03 20260513-1628-B400_B.11-46 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-818-degrease-2 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 23:14:03 20260513-1219-B400_B.11-24 1650201 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1650201 Group Abbenseth_J SiRi165 SbCyNNN KOtBu 18c6 hexane wash cold in C6D6
9 22:16:17 20260513-1355-B400_B.11-9 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref djp-oc-1142-c Group Procter_D
42 22:13:06 20260513-2026-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref ph-702-fuel Group Leigh_D 8:20pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 22:06:27 20260513-2025-B400_B.11-41 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-4CO2Mestyisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 21:52:11 20260513-1926-B400_B.11-11 12 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-241 trans crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 21:38:43 20260513-1926-B400_B.11-11 11 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-241 trans crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
11 21:23:14 20260513-1926-B400_B.11-11 10 H1_Night128 z40973rs + + - + + + + Ref gdb-rs-241 trans crude Group De bo_G
10 21:08:58 20260513-1924-B400_B.11-10 12 C13_CPD_Night256 z40973rs - + - - - + + Ref gdb-rs-239 crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 20:55:30 20260513-1924-B400_B.11-10 11 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-rs-239 crude Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
10 20:40:56 20260513-1924-B400_B.11-10 10 H1_Night128 z40973rs + + - + + + + Ref gdb-rs-239 crude Group De bo_G
6 20:36:23 20260513-1840-B400_B.11-6 10 H1_Night m52750pm + + - + + + + Ref GCPM335cr Group Crisenza_G
40 20:22:07 20260513-1837-B400_B.11-40 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-THF filtrate-tol wash residue-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 20:10:32 20260513-1837-B400_B.11-40 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-I2-THF filtrate-tol wash residue-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 20:06:09 20260513-1837-B400_B.11-40 10 H1_Night b19299kh + + - + + + + Ref STL-XLD-I2-THF filtrate-tol wash residue-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 19:59:21 20260513-1826-B400_B.11-4 10 H1_Night m09677nb + + - + + + + Ref cdcl3 Group Greaney_M
2 19:53:33 20260513-1744-B400_B.11-2 10 H1_Night a53046hl + + - + + + + Ref QBB-G61-F14 Group Leigh_d sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 19:47:09 20260513-1743-B400_B.11-60 11 H1_Night w52164bc + + - + + + + Ref BC-11-221 Group James_M
51 19:33:43 20260513-1732-B400_B.11-51 11 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-D7 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 19:28:19 20260513-1732-B400_B.11-51 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D7 Group De bo_G
50 19:23:46 20260513-1731-B400_B.11-50 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D7 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 19:09:30 20260513-1708-B400_B.11-59 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-ervog Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 19:03:44 20260513-1708-B400_B.11-59 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-ervog Group Procter_D
58 18:49:29 20260513-1708-B400_B.11-58 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-3me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 18:44:51 20260513-1708-B400_B.11-58 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-3me Group Procter_D
57 18:30:36 20260513-1707-B400_B.11-57 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-bf Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 18:23:56 20260513-1707-B400_B.11-57 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-bf Group Procter_D
56 18:09:40 20260513-1706-B400_B.11-56 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1141-meod Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 18:04:30 20260513-1706-B400_B.11-56 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1141-meod Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 17:50:14 20260513-1706-B400_B.11-55 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1139-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 17:43:17 20260513-1706-B400_B.11-55 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1139-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 17:38:23 20260513-1705-B400_B.11-54 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1147-crude-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 17:34:30 20260513-1702-B400_B.11-53 10 H1_Day a53046hl + + - + + + + Ref ph-701 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 17:31:03 20260513-1637-B400_B.11-52 10 H1_Day16 r57145lg + + - + + + + Ref capg_LPG135_Data Group Goodwin_C pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/r57145lg/nmr/20260513-1637-B400_B.11-52/10/pdata/1/peaks!
51 17:26:48 20260513-1629-B400_B.11-51 10 H1_Day j26946hi + + - + + + + Ref bh se 38 b Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 17:22:06 20260513-1629-B400_B.11-50 10 H1_Day j26946hi + + - + + + + Ref bh se 38 a Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 17:18:36 20260513-1629-B400_B.11-49 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-58 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 17:16:41 20260513-1620-B400_B.11-48 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-41-sm1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 17:12:41 20260513-1620-B400_B.11-48 10 H1_Day u67812sg + + - + + + + Ref sq-2-41-sm1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 17:10:46 20260513-1619-B400_B.11-47 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-41-4 Group Procter_D
47 17:07:07 20260513-1619-B400_B.11-47 10 H1_Day u67812sg + + - + + + + Ref sq-2-41-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 17:02:36 20260513-1628-B400_B.11-46 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-818-degrease-2 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 16:56:48 20260513-1625-B400_B.11-45 11 H1_COSY_Day h68355ac - + - - - + + Ref djp-oc-1147-crude Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
45 16:52:25 20260513-1625-B400_B.11-45 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1147-crude Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 16:50:29 20260513-1619-B400_B.11-44 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-41-3 Group Procter_D
44 16:45:46 20260513-1619-B400_B.11-44 10 H1_Day u67812sg + + - + + + + Ref sq-2-41-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 16:43:51 20260513-1619-B400_B.11-43 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-41-2 Group Procter_D
43 16:40:11 20260513-1619-B400_B.11-43 10 H1_Day u67812sg + + - + + + + Ref sq-2-41-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:38:16 20260513-1618-B400_B.11-42 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-41-1 Group Procter_D
42 16:32:42 20260513-1618-B400_B.11-42 10 H1_Day u67812sg + + - + + + + Ref sq-2-41-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:30:06 20260513-1605-B400_B.11-41 11 C13_CPD_Day mbdxjsl5 - + - - - + + Ref DSSJL766 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:26:26 20260513-1605-B400_B.11-41 10 H1_Day mbdxjsl5 + + - + + + + Ref DSSJL766 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 16:22:16 20260513-1604-B400_B.11-40 10 H1_Day c96786as + + - + + + + Ref sjw-as-37 Group Webb_S
39 16:16:02 20260513-1615-B400_B.11-39 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-Arylsalt Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 16:10:37 20260513-1602-B400_B.11-38 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-221 P1 Group James_M
37 16:04:37 20260513-1559-B400_B.11-37 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D7 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 15:59:31 20260513-1559-B400_B.11-36 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D5 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 15:55:31 20260513-1554-B400_B.11-35 10 H1_Day x06125gb + + - + + + + Ref RK12-PF Group Crisenza_G
28 15:52:47 20260513-1540-B400_B.11-28 11 Si29_CPD_Day mbdxrlw2 - + - - - + + Ref LW016_fraction3_CbCoCp Group Mills_D sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260513-1540-B400_B.11-28/11/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260513-1540-B400_B.11-28/11/pdata/1/peaks!
28 15:48:38 20260513-1540-B400_B.11-28 10 H1_Day16 mbdxrlw2 + + - + + + + Ref LW016_fraction3_CbCoCp Group Mills_D
27 15:44:51 20260513-1539-B400_B.11-27 11 Si29_CPD_Day mbdxrlw2 - + - - - + + Ref LW016_fraction2_CbCoCp Group Mills_D sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260513-1539-B400_B.11-27/11/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/mbdxrlw2/nmr/20260513-1539-B400_B.11-27/11/pdata/1/peaks!
27 15:40:17 20260513-1539-B400_B.11-27 10 H1_Day16 mbdxrlw2 + + - + + + + Ref LW016_fraction2_CbCoCp Group Mills_D
26 15:37:17 20260513-1528-B400_B.11-26 1690101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1690101 Group Abbenseth_J SiRi169 SbCyNNN IodobenzeneCF3 in DFB after 3h 595nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
25 15:35:12 20260513-1526-B400_B.11-25 1680102 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1680101 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 xs in C6D6 after 3h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
25 15:31:52 20260513-1526-B400_B.11-25 1680101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1680101 Group Abbenseth_J SiRi168 SbCyNNN IodobenzeneCF3 xs in C6D6 after 3h 595nm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 15:29:41 20260513-1219-B400_B.11-24 1670102 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1670101 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 3h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
24 15:26:05 20260513-1219-B400_B.11-24 1670101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1670101 Group Abbenseth_J SiRi167 SbCyNNN IodobenzeneCF3 in C6D6 after 3h 595nm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 14:58:01 20260513-1456-B400_B.11-3 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1147-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 14:44:10 20260513-1439-B400_B.11-34 11 C13_CPD_Day mbdxjsl5 - + - - - + + Ref DSSJL766 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 14:40:34 20260513-1439-B400_B.11-34 10 H1_Day mbdxjsl5 + + - + + + + Ref DSSJL766 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 14:37:52 20260513-1414-B400_B.11-5 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-DW-139-CH3THFFiltGREEN Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1414-B400_B.11-5/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1414-B400_B.11-5/12/pdata/1/peaks!
5 14:35:28 20260513-1414-B400_B.11-5 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-DW-139-CH3THFFiltGREEN Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1414-B400_B.11-5/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1414-B400_B.11-5/11/pdata/1/peaks!
5 14:30:58 20260513-1414-B400_B.11-5 10 H1_Day q50682hk + + - + + + + Ref HK-DW-139-CH3THFFiltGREEN Group Coram_M
4 14:27:59 20260513-1413-B400_B.11-4 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-DW-139-CH3THFFiltORAN Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1413-B400_B.11-4/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1413-B400_B.11-4/12/pdata/1/peaks!
4 14:25:53 20260513-1413-B400_B.11-4 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-DW-139-CH3THFFiltORAN Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1413-B400_B.11-4/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260513-1413-B400_B.11-4/11/pdata/1/peaks!
4 14:21:11 20260513-1413-B400_B.11-4 10 H1_Day q50682hk + + - + + + + Ref HK-DW-139-CH3THFFiltORAN Group Coram_M
3 14:15:40 20260513-1410-B400_B.11-3 10 H1_Day16 p13528bg + + - + + + + Ref BG-020a) column tt23 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 14:01:25 20260513-1354-B400_B.11-2 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1130-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:55:34 20260513-1354-B400_B.11-2 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1130-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:30:00 20260513-1328-B400_B.11-2 10 H1_Day16 z92209cg + + - + + + + Ref sl-pyridine-tcl Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:00:38 20260513-1248-B400_B.11-30 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up x2 + 60 o/n sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 12:57:01 20260513-1248-B400_B.11-30 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up x2 + 60 o/n
29 12:52:46 20260513-1242-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref ALF131 fuelled 38h Group Leigh_D ALF131 fuelled 38h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 12:48:07 20260513-1231-B400_B.11-28 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1679 Column Mid Band - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 12:42:50 20260513-1230-B400_B.11-27 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1678 Crude - CDCl3 Group De bo_G
26 12:41:05 20260513-1228-B400_B.11-25 2380231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-38 Group Abbenseth_J JA-SiS-II-38 P(NNN) PA - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 12:36:59 20260513-1228-B400_B.11-25 2380201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-38 Group Abbenseth_J JA-SiS-II-38 P(NNN) PA - 1H
25 12:34:20 20260513-1228-B400_B.11-25 2340631 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Benzzald - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 12:29:44 20260513-1228-B400_B.11-25 2340601 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Benzzald - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 12:24:42 20260513-1219-B400_B.11-24 1660101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1660101 Group Abbenseth_J SiRi166 SbCyNNN KOtBu 18c6 in after recryst THF hex sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 12:06:20 20260513-1205-B400_B.11-2 10 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1142-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 11:55:52 20260513-1150-B400_B.11-2 11 P31_CPD_Day w81028jj - + - - - + + Ref JQJ144.2 refluxed Group Webb_S sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
2 11:51:13 20260513-1150-B400_B.11-2 10 H1_Day w81028jj + + - + + + + Ref JQJ144.2 refluxed Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 11:39:25 20260512-1550-B400_B.11-39 12 H1_Day a53046hl + + - + + + + Ref ph-698-s Group Leigh_D fuel 4:30 pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 11:35:35 20260512-1549-B400_B.11-38 12 H1_Day a53046hl + + - + + + + Ref ph-698-r Group Leigh_D fuel 4:40pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 11:29:57 20260513-1113-B400_B.11-29 10 H1_Day16 p13528bg + + - + + + + Ref BG-020a) silica pad 1.5-3.0 Group De bo_G
28 11:25:43 20260513-1045-B400_B.11-28 10 H1_Day z92209cg + + - + + + + Ref ALF131 fuelled 36h Group Leigh_D ALF131 fuelled 36h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 11:19:03 20260513-1030-B400_B.11-27 10 C13_DEPTQ_Day g36620hh + + - + + + + Ref HH38.5 Group Mills_D overnight 60C
26 11:14:14 20260513-0948-B400_B.11-25 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-035E Group Trowbridge_A
25 11:08:56 20260513-0948-B400_B.11-25 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-035D Group Trowbridge_A
24 11:04:48 20260513-0956-B400_B.11-24 1600201 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1600201 Group Abbenseth_J SiRi160 sbCyNNN after recryst from hexane sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 10:52:36 20260513-0955-B400_B.11-23 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-gm-10-055-h-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 10:39:43 20260513-0954-B400_B.11-22 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-gm-10-055-g-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 10:34:10 20260513-0947-B400_B.11-19 30 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-035C Group Trowbridge_A
20 10:28:44 20260513-0947-B400_B.11-19 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-035B Group Trowbridge_A
19 10:21:52 20260513-0947-B400_B.11-19 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-035A Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 10:18:35 20260513-0947-B400_B.11-18 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F18 Group Riddell_I
17 10:14:49 20260513-0946-B400_B.11-17 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F8 Group Riddell_I
16 10:09:13 20260513-0934-B400_B.11-16 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.5 Group Mills_D Overnight 60C sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260513-0934-B400_B.11-16/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260513-0934-B400_B.11-16/12/pdata/1/peaks!
16 10:04:07 20260513-0934-B400_B.11-16 11 C13_DEPT90_Day g36620hh - + - - - + + Ref HH38.5 Group Mills_D Overnight 60C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 10:00:14 20260513-0934-B400_B.11-16 10 H1_Day g36620hh + + - + + + + Ref HH38.5 Group Mills_D Overnight 60C
15 09:58:48 20260513-0920-B400_B.11-13 34 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:57:04 20260513-0920-B400_B.11-13 33 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:55:38 20260513-0920-B400_B.11-13 32 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:53:54 20260513-0920-B400_B.11-13 31 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:49:38 20260513-0920-B400_B.11-13 30 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(iPr)_2eq_V2_EP Group Mills_D
14 09:48:12 20260513-0920-B400_B.11-13 24 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260513-0920-B400_B.11-13/24/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260513-0920-B400_B.11-13/24/pdata/1/peaks!
14 09:46:27 20260513-0920-B400_B.11-13 23 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260513-0920-B400_B.11-13/23/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260513-0920-B400_B.11-13/23/pdata/1/peaks!
14 09:45:01 20260513-0920-B400_B.11-13 22 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 09:43:16 20260513-0920-B400_B.11-13 21 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 09:38:21 20260513-0920-B400_B.11-13 20 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(Ph)_2eq_V2_EP Group Mills_D
13 09:36:56 20260513-0920-B400_B.11-13 14 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V6_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 09:35:11 20260513-0920-B400_B.11-13 13 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V6_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 09:33:45 20260513-0920-B400_B.11-13 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V6_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 09:31:03 20260513-0920-B400_B.11-13 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V6_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 09:26:35 20260513-0920-B400_B.11-13 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(iPr)_2eq_V6_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260505-1014-B400_B.11-1 17 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
12 05:59:59 20260512-2128-B400_B.11-12 10 H1_WaterSupp_Night f11141tm + + - + + + + Ref lms950 CH3CN electro -1.2V Group Yang_S
11 05:24:32 20260512-2127-B400_B.11-11 10 H1_WaterSupp_Night f11141tm + + - + + + + Ref lms950 CH3CN electro -1.0V Group Yang_S
10 04:48:40 20260512-2126-B400_B.11-10 10 H1_WaterSupp_Night f11141tm + + - + + + + Ref lms950 CH3CN electro -0.8V Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 04:13:30 20260512-1559-B400_B.11-48 14 H1_C13_HMBC_Night a53046hl - + - - - + + Ref QBB-G62-15hrs Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
48 03:58:09 20260512-1559-B400_B.11-48 13 H1_C13_HSQC_Night a53046hl - + - - - + + Ref QBB-G62-15hrs Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
48 03:44:40 20260512-1559-B400_B.11-48 12 H1_COSY_HiRes_Night a53046hl - + - - - + + Ref QBB-G62-15hrs Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
48 02:50:55 20260512-1559-B400_B.11-48 11 C13_CPD_Night1024 a53046hl - + - - - + + Ref QBB-G62-15hrs Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 02:35:04 20260512-1559-B400_B.11-48 10 H1_Night128 a53046hl + + - + + + + Ref QBB-G62-15hrs Group Leigh_D
44 02:19:42 20260512-1558-B400_B.11-44 12 H1_C13_HSQC_Night b26045ab - + - - - + + Ref AT-ABO-03-033D Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
44 01:25:57 20260512-1558-B400_B.11-44 11 C13_CPD_Night1024 b26045ab - + - - - + + Ref AT-ABO-03-033D Group Trowbridge_A
44 01:12:04 20260512-1558-B400_B.11-44 10 H1_Night128 b26045ab + + - + + + + Ref AT-ABO-03-033D Group Trowbridge_A
42 00:56:43 20260512-1557-B400_B.11-42 12 H1_C13_HSQC_Night b26045ab - + - - - + + Ref AT-ABO-03-033B Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 00:02:58 20260512-1557-B400_B.11-42 11 C13_CPD_Night1024 b26045ab - + - - - + + Ref AT-ABO-03-033B Group Trowbridge_A
42 23:48:05 20260512-1557-B400_B.11-42 10 H1_Night128 b26045ab + + - + + + + Ref AT-ABO-03-033B Group Trowbridge_A
33 23:34:00 20260512-2249-B400_B.11-32 20 H1_Night128 m09677nb + + - + + + + Ref naph zk Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 23:18:37 20260512-2249-B400_B.11-32 10 H1_Night128 m09677nb + + - + + + + Ref biphenyl zk Group Greaney_M
31 22:43:28 20260512-1502-B400_B.11-31 14 H1_C13_HMBC_Night j88755sb - + - - - + + Ref capg-sb011-12May26 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 22:28:07 20260512-1502-B400_B.11-31 13 H1_C13_HSQC_Night j88755sb - + - - - + + Ref capg-sb011-12May26 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 22:14:36 20260512-1502-B400_B.11-31 12 H1_COSY_HiRes_Night j88755sb - + - - - + + Ref capg-sb011-12May26 Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
31 22:00:21 20260512-1502-B400_B.11-31 11 C13_CPD_Night256 j88755sb - + - - - + + Ref capg-sb011-12May26 Group Goodwin_C
31 21:56:05 20260512-1502-B400_B.11-31 10 H1_Night j88755sb + + - + + + + Ref capg-sb011-12May26 Group Goodwin_C
22 21:50:27 20260512-2110-B400_B.11-22 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
3 21:36:12 20260512-1725-B400_B.11-3 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1140-dry Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 21:30:43 20260512-1725-B400_B.11-3 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1140-dry Group Procter_D
20 21:22:00 20260512-1306-B400_B.11-16 50 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-055-f-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 21:12:55 20260512-1306-B400_B.11-16 40 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-055-e-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 21:08:26 20260512-1756-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref ALF131 fuelled 21h30 Group Leigh_D ALF131 fuelled 21h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 21:05:16 20260512-1550-B400_B.11-39 11 H1_Day a53046hl + + - + + + + Ref ph-698-s Group Leigh_D fuel 4:30 pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 21:01:47 20260512-1549-B400_B.11-38 11 H1_Day a53046hl + + - + + + + Ref ph-698-r Group Leigh_D fuel 4:40pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 20:47:31 20260512-1729-B400_B.11-9 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-2-co2me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 20:41:26 20260512-1729-B400_B.11-9 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-2-co2me Group Procter_D
6 20:27:11 20260512-1728-B400_B.11-6 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-4-cf3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 20:21:59 20260512-1728-B400_B.11-6 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-4-cf3 Group Procter_D
5 20:07:44 20260512-1728-B400_B.11-5 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-4-cn Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 20:02:13 20260512-1728-B400_B.11-5 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-4-cn Group Procter_D
4 19:47:52 20260512-1726-B400_B.11-4 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1141-dry Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 19:40:51 20260512-1726-B400_B.11-4 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1141-dry Group Procter_D
3 18:28:51 20260512-1725-B400_B.11-3 10 H1_Night h68355ac x - - - - - - Ref djp-oc-1140-dry Group Procter_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
20 18:23:33 20260512-1306-B400_B.11-16 50 H1_Quant_Night w12998gm x - - - - - - Ref il-gm-10-055-f-crude Group Larrosa_I WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
19 18:22:27 20260512-1306-B400_B.11-16 40 H1_Quant_Night w12998gm - - - - - - - Ref il-gm-10-055-e-crude Group Larrosa_I
18 18:13:42 20260512-1306-B400_B.11-16 30 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-055-d-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 18:04:56 20260512-1306-B400_B.11-16 20 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-055-c-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 17:56:05 20260512-1306-B400_B.11-16 10 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-055-b-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 17:46:40 20260512-1306-B400_B.11-15 10 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-055-a-crude Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 17:32:24 20260512-1724-B400_B.11-2 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1146-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 17:27:22 20260512-1724-B400_B.11-2 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1146-ac Group Procter_D
60 17:23:57 20260512-1704-B400_B.11-58 30 H1_Day x06125gb + + - + + + + Ref RK13-C Group Crisenza_G
59 17:20:34 20260512-1704-B400_B.11-58 20 H1_Day x06125gb + + - + + + + Ref RK12-C Group Crisenza_G
58 17:15:22 20260512-1704-B400_B.11-58 10 H1_Day x06125gb + + - + + + + Ref RK11-PF Group Crisenza_G
57 17:11:17 20260512-1658-B400_B.11-55 30 H1_Day16 z92209cg + + - + + + + Ref sl-9111 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 17:07:09 20260512-1658-B400_B.11-55 20 H1_Day16 z92209cg + + - + + + + Ref sl-9110 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 17:03:01 20260512-1658-B400_B.11-55 10 H1_Day16 z92209cg + + - + + + + Ref sl-9112 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 16:59:05 20260512-1647-B400_B.11-54 10 H1_Day z92209cg + + - + + + + Ref AL111 2 end prod Group Leigh_D AL111 2 end prod sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 16:53:34 20260512-1642-B400_B.11-52 20 H1_Day16 p13528bg + + - + + + + Ref BG-020a) crude fullwash organic Group De bo_G
52 16:47:56 20260512-1642-B400_B.11-52 10 H1_Day16 p13528bg + + - + + + + Ref BG-020a) crude filtered solid milipore Group De bo_G
51 16:44:16 20260512-1641-B400_B.11-51 10 H1_Day a53046hl + + - + + + + Ref ph-699-7-3-buf65 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 16:42:21 20260512-1627-B400_B.11-50 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-38-12-30min Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 16:39:09 20260512-1627-B400_B.11-50 10 H1_Day u67812sg + + - + + + + Ref sq-2-38-12-30min Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 16:37:11 20260512-1626-B400_B.11-49 11 C13_CPD_Day u67812sg - + - - - + + Ref sq-2-38-11-30min Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 16:34:03 20260512-1626-B400_B.11-49 10 H1_Day u67812sg + + - + + + + Ref sq-2-38-11-30min Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 16:30:45 20260512-1625-B400_B.11-47 10 H1_Day u67812sg + + - + + + + Ref sq-2-38-10-30min Group Procter_D
46 16:27:08 20260512-1625-B400_B.11-46 10 H1_Day u67812sg + + - + + + + Ref sq-2-38-9-30min Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 16:24:35 20260512-1615-B400_B.11-45 11 C13_CPD_Day mbdxjsl5 - + - - - + + Ref DSSJL766 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 16:20:50 20260512-1615-B400_B.11-45 10 H1_Day mbdxjsl5 + + - + + + + Ref DSSJL766 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 16:19:24 20260512-1004-B400_B.11-43 14 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 16:17:40 20260512-1004-B400_B.11-43 13 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 16:16:14 20260512-1004-B400_B.11-43 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 16:11:40 20260512-1004-B400_B.11-43 11 P31_CPD_Day z89001ep + + - + + + + Ref YBH4_BIPP(Ph)_ScU_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:07:35 20260512-1553-B400_B.11-40 20 H1_Day16 z92209cg + + - + + + + Ref sl-5:2:tcl Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 16:01:49 20260512-1553-B400_B.11-40 10 H1_Day16 z92209cg + + - + + + + Ref sl-5:3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 15:58:37 20260512-1550-B400_B.11-39 10 H1_Day a53046hl + + - + + + + Ref ph-698-s Group Leigh_D fuel 4:30 pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 15:55:07 20260512-1549-B400_B.11-38 10 H1_Day a53046hl + + - + + + + Ref ph-698-r Group Leigh_D fuel 4:40pm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 15:51:50 20260512-1511-B400_B.11-37 1600101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1600101 Group Abbenseth_J SiRi160 SbCyNNN after recryst from hexane sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 15:50:00 20260512-1510-B400_B.11-36 1081002 B11_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1081001 Group Abbenseth_J SiRi1-08 finished ligand jen method recryst rest solution log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260512-1510-B400_B.11-36/1081002/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260512-1510-B400_B.11-36/1081002/pdata/1/peaks!
36 15:44:57 20260512-1510-B400_B.11-36 1081001 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1081001 Group Abbenseth_J SiRi1-08 finished ligand jen method recryst rest solution
35 15:41:36 20260512-1504-B400_B.11-35 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F21 Group Riddell_I
34 15:37:40 20260512-1504-B400_B.11-34 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 F11 Group Riddell_I
33 15:31:56 20260512-1451-B400_B.11-33 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.4 Group Mills_D 1 eq. methanide sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260512-1451-B400_B.11-33/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260512-1451-B400_B.11-33/12/pdata/1/peaks!
33 15:26:54 20260512-1451-B400_B.11-33 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.4 Group Mills_D 1 eq. methanide
33 15:23:49 20260512-1451-B400_B.11-33 10 H1_Day g36620hh + + - + + + + Ref HH38.4 Group Mills_D 1 eq. methanide sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 15:19:34 20260512-1502-B400_B.11-32 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb043-La Group Goodwin_C
30 15:13:43 20260512-1458-B400_B.11-30 11 H1_COSY_Day p13528bg - + - - - + + Ref BG-020a) crude 2 cosy Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 15:09:01 20260512-1458-B400_B.11-30 10 H1_Day p13528bg + + - + + + + Ref BG-020a) crude 2 Group De bo_G
29 15:03:04 20260512-1414-B400_B.11-28 20 H1_Day16 z92209cg + + - + + + + Ref sl-50:1-tcl Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 14:57:06 20260512-1414-B400_B.11-28 10 H1_Day16 z92209cg + + - + + + + Ref sl-10:1-3base Group Leigh_D
27 14:52:50 20260512-1349-B400_B.11-27 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-36H Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 14:47:35 20260512-1347-B400_B.11-26 10 H1_Day x06125gb + + - + + + + Ref RK10-PF Group Crisenza_G
25 14:45:49 20260512-1345-B400_B.11-25 14 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:44:24 20260512-1345-B400_B.11-25 13 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:42:58 20260512-1345-B400_B.11-25 12 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:41:13 20260512-1345-B400_B.11-25 11 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:37:06 20260512-1345-B400_B.11-25 10 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(iPr)_2eq_EP Group Mills_D
24 14:35:40 20260512-1344-B400_B.11-24 14 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:33:56 20260512-1344-B400_B.11-24 13 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:32:29 20260512-1344-B400_B.11-24 12 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:30:39 20260512-1344-B400_B.11-24 11 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:25:50 20260512-1344-B400_B.11-24 10 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 14:20:01 20260512-1342-B400_B.11-23 10 H1_Day16 z92209cg + + - + + + + Ref sl-50:13base Group Leigh_D
22 14:16:49 20260512-1340-B400_B.11-22 10 H1_Day a53046hl + + - + + + + Ref ph-698-s Group Leigh_D prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 14:12:52 20260512-1340-B400_B.11-21 10 H1_Day a53046hl + + - + + + + Ref ph-698-r Group Leigh_D prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 14:10:59 20260512-1327-B400_B.11-14 11 P31_NoCPD_Day m69065je - + - - - + + Ref DTP-Ph_oil Group Mills_D DTP-Ph_oil sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
14 14:06:28 20260512-1327-B400_B.11-14 10 H1_Day16 m69065je + + - + + + + Ref DTP-Ph_oil Group Mills_D DTP-Ph_oil
13 14:02:43 20260512-1309-B400_B.11-13 10 H1_Day z16689fe + + - + + + + Ref DJP FE 431 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 13:59:11 20260512-1301-B400_B.11-12 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F16 Group Riddell_I
11 13:56:45 20260512-1308-B400_B.11-11 11 C13_CPD_Day p10102hz - + - - - + + Ref zhb-a-139ar Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:51:22 20260512-1308-B400_B.11-11 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-139ar Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 13:49:30 20260512-1327-B400_B.11-10 11 P31_NoCPD_Day m69065je - + - - - + + Ref DTP-Ph_cry Group Mills_D DTP-Ph_cry sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
10 13:44:10 20260512-1327-B400_B.11-10 10 H1_Day16 m69065je + + - + + + + Ref DTP-Ph_cry Group Mills_D DTP-Ph_cry sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 13:41:28 20260512-1234-B400_B.11-9 11 C13_CPD_Day f09303eg - + - - - + + Ref EG67 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 13:37:06 20260512-1234-B400_B.11-9 10 H1_Day f09303eg + + - + + + + Ref EG67 Group Webb_S
8 13:36:41 20260512-1232-B400_B.11-8 10 H1_Day a53046hl x - - - - - - Ref QBB-G61-15hrs Group Leigh_D WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.8'.
7 13:36:12 20260512-1227-B400_B.11-7 10 H1_Quant_D1_25s_Day b66403ls - - - - - - - Ref ls-30 Group Keerthi_A
6 13:32:18 20260512-1157-B400_B.11-6 10 H1_Day k04094yj + + - + x + + Ref QBB-G61-15hours Group Leigh_D topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
5 13:27:10 20260512-1156-B400_B.11-5 10 H1_Day k04094yj + + - + + + + Ref VJ0389-Amine SM Group Leigh_D
4 13:22:41 20260512-1156-B400_B.11-4 10 H1_Day k04094yj + + - + + + + Ref VJ0389-diCl SM Group Leigh_D
3 13:17:28 20260512-1148-B400_B.11-3 10 H1_Day w81028jj + + - + + + + Ref JQJ107.1 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:15:07 20260512-1147-B400_B.11-2 11 P31_CPD_Day w81028jj - + - - - + + Ref JQJ114 Group Webb_S sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
2 13:11:37 20260512-1147-B400_B.11-2 10 H1_Day w81028jj + + - + + + + Ref JQJ114 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 12:56:05 20260505-1014-B400_B.11-1 25 H1_make_shim.icon nmrsu + + - + + + + Ref sucrose shim Group Service
6 12:05:09 20260512-1157-B400_B.11-6 10 H1_Day k04094yj + + - + x x - Ref QBB-G61-15hours Group Leigh_D
5 12:02:00 20260512-1156-B400_B.11-5 10 H1_Day k04094yj + + - + x x - Ref VJ0389-Amine SM Group Leigh_D
4 11:58:24 20260512-1156-B400_B.11-4 10 H1_Day k04094yj + + - + x x - Ref VJ0389-diCl SM Group Leigh_D
43 10:12:40 20260512-1004-B400_B.11-43 10 H1_Day16 z89001ep + + - + + + + Ref YBH4_BIPP(Ph)_ScU_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done, Automation was stopped by user
42 10:07:35 20260512-0946-B400_B.11-42 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 10 days + 1 day at 40C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 10:04:19 20260512-0946-B400_B.11-42 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 10 days + 1 day at 40C
41 10:02:13 20260512-0938-B400_B.11-41 15590402 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1590401 Group Abbenseth_J SiRi159 SbCyNNN IodobenzeneCF3 in DFB after 4 days 595nm vacuo C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
41 09:58:16 20260512-0938-B400_B.11-41 15590401 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1590401 Group Abbenseth_J SiRi159 SbCyNNN IodobenzeneCF3 in DFB after 4 days 595nm vacuo C6D6
39 09:56:50 20260512-0924-B400_B.11-39 14 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 09:55:06 20260512-0924-B400_B.11-39 13 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 09:53:40 20260512-0924-B400_B.11-39 12 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 09:51:55 20260512-0924-B400_B.11-39 11 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 09:47:48 20260512-0924-B400_B.11-39 10 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(iPr)_V2_EP Group Mills_D
38 09:46:22 20260512-0923-B400_B.11-38 14 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260512-0923-B400_B.11-38/14/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260512-0923-B400_B.11-38/14/pdata/1/peaks!
38 09:44:38 20260512-0923-B400_B.11-38 13 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260512-0923-B400_B.11-38/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260512-0923-B400_B.11-38/13/pdata/1/peaks!
38 09:43:12 20260512-0923-B400_B.11-38 12 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260512-0923-B400_B.11-38/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260512-0923-B400_B.11-38/12/pdata/1/peaks!
38 09:41:27 20260512-0923-B400_B.11-38 11 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 09:36:44 20260512-0923-B400_B.11-38 10 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 09:35:18 20260512-0921-B400_B.11-37 14 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V5_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 09:33:34 20260512-0921-B400_B.11-37 13 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V5_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 09:32:08 20260512-0921-B400_B.11-37 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V5_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 09:30:11 20260512-0921-B400_B.11-37 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V5_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 09:25:42 20260512-0921-B400_B.11-37 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Ph)_2eq_V5_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260505-1014-B400_B.11-1 16 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 08:52:41 20260512-0847-B400_B.11-18 2410131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-41 Group Abbenseth_J JA-SiS-II-41 P(NNN) PA after LYO - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 08:48:20 20260512-0847-B400_B.11-18 2410101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-41 Group Abbenseth_J JA-SiS-II-41 P(NNN) PA after LYO - 1H
17 08:37:55 20260512-0837-B400_B.11-17 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F6 Group Riddell_I
2 22:59:26 20260511-2135-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF131 fueled 15 min Group Leigh_D ALF131 fueled 15 min - 5 eq of fuel added sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 22:23:06 20260511-2135-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF131 fueled 5 min Group Leigh_D ALF131 fueled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 22:00:41 20260511-2135-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF131 prefuel 2 Group Leigh_D ALF131 prefuel 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 21:36:32 20260511-2135-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF131 prefuel Group Leigh_D ALF131 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 20:09:24 20260511-1929-B400_B.11-25 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260511 Cu disalen ligand -1.2v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 20:02:30 20260511-1929-B400_B.11-24 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260511 Cu disalen ligand -1.1v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 19:55:24 20260511-1928-B400_B.11-23 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260511 Cu disalen ligand -1.0v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 19:50:07 20260511-1939-B400_B.11-29 10 H1_Night m52750pm + + - + + + + Ref GCPM332cr Group Crisenza_G
28 19:44:56 20260511-1937-B400_B.11-28 10 H1_Night m52750pm + + - + + + + Ref GCPM331cr-repe Group Crisenza_G
22 19:38:04 20260511-1928-B400_B.11-22 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260511 Cu disalen ligand -0.9v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 19:37:31 20260511-1937-B400_B.11-26 10 H1_Night m52750pm - - - - - - - Ref GCPM331cr Group Crisenza_G
21 19:29:16 20260511-1928-B400_B.11-21 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 20260511 Cu disalen ligand -0.8v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 19:23:42 20260511-1923-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref GCU-Ar-004-col Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 18:44:00 20260511-1755-B400_B.11-44 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1141 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 18:37:34 20260511-1755-B400_B.11-44 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1141 Group Procter_D
43 18:23:19 20260511-1754-B400_B.11-43 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1140 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 18:18:15 20260511-1754-B400_B.11-43 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1140 Group Procter_D
42 17:43:06 20260511-1628-B400_B.11-42 15 H1_C13_HMBC_Night j88755sb - + - - - + + Ref capg-sb042-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 17:26:00 20260511-1628-B400_B.11-42 14 H1_C13_HSQC_Night j88755sb + + - + + + + Ref capg-sb042-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
44 17:22:29 20260511-1713-B400_B.11-44 10 H1_Day x06125gb + + - + + + + Ref RK10-C Group Crisenza_G
43 17:17:45 20260511-1706-B400_B.11-43 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 17:04:16 20260511-1628-B400_B.11-42 13 H1_COSY_HiRes_Night j88755sb - + - - - + + Ref capg-sb042-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 16:49:20 20260511-1628-B400_B.11-42 12 C13_CPD_Night256 j88755sb - + - - - + + Ref capg-sb042-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:47:02 20260511-1628-B400_B.11-42 11 H1_Night j88755sb - + - - - + + Ref capg-sb042-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:43:01 20260511-1628-B400_B.11-42 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb042-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:37:02 20260511-1603-B400_B.11-41 10 H1_Day z92209cg + + - + + + + Ref AL114 2 fr65-69 Group Leigh_D AL114 2 fr65-69 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 16:35:36 20260511-1606-B400_B.11-39 14 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1606-B400_B.11-39/14/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1606-B400_B.11-39/14/pdata/1/peaks!
39 16:34:10 20260511-1606-B400_B.11-39 13 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1606-B400_B.11-39/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1606-B400_B.11-39/13/pdata/1/peaks!
39 16:32:26 20260511-1606-B400_B.11-39 12 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1606-B400_B.11-39/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1606-B400_B.11-39/12/pdata/1/peaks!
39 16:30:41 20260511-1606-B400_B.11-39 11 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 16:26:34 20260511-1606-B400_B.11-39 10 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 16:25:09 20260511-1604-B400_B.11-38 14 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1604-B400_B.11-38/14/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1604-B400_B.11-38/14/pdata/1/peaks!
38 16:23:43 20260511-1604-B400_B.11-38 13 P31_NoCPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1604-B400_B.11-38/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1604-B400_B.11-38/13/pdata/1/peaks!
38 16:21:59 20260511-1604-B400_B.11-38 12 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1604-B400_B.11-38/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260511-1604-B400_B.11-38/12/pdata/1/peaks!
38 16:19:32 20260511-1604-B400_B.11-38 11 P31_CPD_Day z89001ep - + - - - + + Ref EuI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 16:14:40 20260511-1604-B400_B.11-38 10 H1_Day16 z89001ep + + - + + + + Ref EuI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 16:10:50 20260511-1602-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref AL114 2 fr 42-55 Group Leigh_D AL114 2 fr 42-55 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 16:06:19 20260511-1601-B400_B.11-36 10 H1_Day z92209cg + + - + + + + Ref AL114 2 fr 37-41 Group Leigh_D AL114 2 fr 37-41 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 16:01:54 20260511-1600-B400_B.11-35 10 H1_Day z92209cg + + - + + + + Ref AL114 2 fr 25-36 Group Leigh_D AL114 2 fr 25-36
39 15:29:57 20260511-1529-B400_B.11-39 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F50 Group Riddell_I
25 14:38:28 20260511-1412-B400_B.11-25 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-3thcycle-pot-drops of THF-washed by tol Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 14:26:53 20260511-1412-B400_B.11-25 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-I2-3thcycle-pot-drops of THF-washed by tol Group Liddle_S
25 14:23:15 20260511-1412-B400_B.11-25 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2-3thcycle-pot-drops of THF-washed by tol Group Liddle_S
11 14:21:57 20260511-1403-B400_B.11-11 14 B11_NoCPD_Day g36620hh - + - - - + + Ref HH38.3 Group Mills_D 40C for 3h log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1403-B400_B.11-11/14/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1403-B400_B.11-11/14/pdata/1/peaks!
11 14:19:55 20260511-1403-B400_B.11-11 13 B11_CPD_Day g36620hh - + - - - + + Ref HH38.3 Group Mills_D 40C for 3h sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1403-B400_B.11-11/13/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1403-B400_B.11-11/13/pdata/1/peaks!
11 14:14:18 20260511-1403-B400_B.11-11 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.3 Group Mills_D 40C for 3h sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1403-B400_B.11-11/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1403-B400_B.11-11/12/pdata/1/peaks!
11 14:09:13 20260511-1403-B400_B.11-11 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.3 Group Mills_D 40C for 3h
11 14:05:41 20260511-1403-B400_B.11-11 10 H1_Day g36620hh + + - + + + + Ref HH38.3 Group Mills_D 40C for 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 14:03:15 20260511-1358-B400_B.11-10 11 B11_CPD_Day a77256kr - + - - - + + Ref K[BArF20] Group Goodwin_C sref: NUCLEUS '11B' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/a77256kr/nmr/20260511-1358-B400_B.11-10/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/a77256kr/nmr/20260511-1358-B400_B.11-10/11/pdata/1/peaks!
10 13:59:43 20260511-1358-B400_B.11-10 10 F19_NoCPD_Day a77256kr + + - + + + + Ref K[BArF20] Group Goodwin_C log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
9 13:44:54 20260511-1339-B400_B.11-9 11 B11_CPD_Day a77256kr - + - - - + + Ref Ag[BArF20] Group Goodwin_C sref: NUCLEUS '11B' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/a77256kr/nmr/20260511-1339-B400_B.11-9/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/a77256kr/nmr/20260511-1339-B400_B.11-9/11/pdata/1/peaks!
9 13:41:32 20260511-1339-B400_B.11-9 10 F19_NoCPD_Day a77256kr + + - + + + + Ref Ag[BArF20] Group Goodwin_C log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 13:26:52 20260511-1309-B400_B.11-8 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-347 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 13:13:37 20260511-1247-B400_B.11-7 10 H1_Quant_D1_25s_Day z61799af + + - + + + + Ref AF-337 Group Green_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 13:00:52 20260511-1247-B400_B.11-6 10 H1_Quant_D1_25s_Day z61799af + + - + + + + Ref AF-336 Group Green_A
5 12:48:33 20260511-1247-B400_B.11-5 10 H1_Quant_D1_25s_Day z61799af + + - + + + + Ref AF-335 Group Green_A
4 12:42:32 20260511-1232-B400_B.11-4 2420133 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-42 Group Abbenseth_J JA-SiS-II-42 P(NNN) NH3 - 31P sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4 12:41:06 20260511-1232-B400_B.11-4 2420132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-42 Group Abbenseth_J JA-SiS-II-42 P(NNN) NH3 - 31P sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4 12:39:08 20260511-1232-B400_B.11-4 2420131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-42 Group Abbenseth_J JA-SiS-II-42 P(NNN) NH3 - 31P{1H} sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4 12:34:30 20260511-1232-B400_B.11-4 2420101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-42 Group Abbenseth_J JA-SiS-II-42 P(NNN) NH3 - 1H
3 12:06:26 20260511-1158-B400_B.11-2 20 H1_Day16 p13528bg + + - + + + + Ref BG-019b) 3rd extraction Group GDB sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 11:59:50 20260511-1158-B400_B.11-2 10 H1_Day16 p13528bg + + - + + + + Ref BG-019b) 2nd extraction Group GDB sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 11:43:23 20260511-1139-B400_B.11-34 11 H1_COSY_Day y52364mw - + - - - + + Ref GDB-MJ-D5-COSY Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
34 11:39:56 20260511-1139-B400_B.11-34 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-D5-COSY Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:22:10 20260511-1108-B400_B.11-33 14 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V4_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:20:44 20260511-1108-B400_B.11-33 13 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V4_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:18:59 20260511-1108-B400_B.11-33 12 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V4_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:16:13 20260511-1108-B400_B.11-33 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V4_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 11:11:53 20260511-1108-B400_B.11-33 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(iPr)_2eq_V4_EP Group Mills_D
32 11:07:33 20260511-1050-B400_B.11-32 10 H1_Day16 f56027ch + + - + + + + Ref 20260510 disalen propylene Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 11:02:52 20260511-1049-B400_B.11-30 10 H1_Day16 f56027ch + + - + + + + Ref 20260510 deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 10:58:24 20260511-1048-B400_B.11-29 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-38 F31 Group Riddell_I
28 10:53:36 20260511-1047-B400_B.11-28 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-38 F21 Group Riddell_I
26 10:52:17 20260511-1047-B400_B.11-26 11 H1_Day x73847lm - + - - - + + Ref IR-LJM-02-38 F11 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 10:47:52 20260511-1047-B400_B.11-26 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-38 F11 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 10:29:48 20260511-1029-B400_B.11-15 10 B11_NoCPD_Day g36620hh + + - + + + + Ref HH38.2 Group Mills_D 2d log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1029-B400_B.11-15/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-1029-B400_B.11-15/10/pdata/1/peaks!
3 10:23:47 20260511-1018-B400_B.11-3 10 C13_CPD_Day u67812sg + + - + + + + Ref sq-2-38-8 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 10:19:30 20260511-1018-B400_B.11-2 10 C13_CPD_Day u67812sg + + - + + + + Ref sq-2-38-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:07:06 20260511-0959-B400_B.11-5 20 H1_Day x06125gb + + - + + + + Ref RK11-D1-F2 Group Crisenza_G
5 10:02:37 20260511-0959-B400_B.11-5 10 H1_Day x06125gb + + - + + + + Ref RK11-A6-F5 Group Crisenza_G
2 09:56:41 20260511-0919-B400_B.11-2 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt) + CO2 + top up + 10 days sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:53:27 20260511-0919-B400_B.11-2 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt) + CO2 + top up + 10 days
18 09:47:15 20260511-0942-B400_B.11-18 10 H1_Day16 a15978el + + - + + + + Ref BC-11-220 F2-7 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 09:43:38 20260511-0930-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF130 fuelled 36h Group Leigh_D ALF130 fuelled 36h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 09:39:08 20260511-0930-B400_B.11-16 10 H1_Day z92209cg + + - + + + + Ref ALF129 fuelled 36h Group Leigh_D ALF129 fuelled 36h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 09:37:05 20260511-0913-B400_B.11-15 13 B11_CPD_Day g36620hh - + - - - + + Ref HH38.2 Group Mills_D 2d sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-0913-B400_B.11-15/13/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-0913-B400_B.11-15/13/pdata/1/peaks!
15 09:31:17 20260511-0913-B400_B.11-15 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.2 Group Mills_D 2d sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-0913-B400_B.11-15/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260511-0913-B400_B.11-15/12/pdata/1/peaks!
15 09:26:49 20260511-0913-B400_B.11-15 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.2 Group Mills_D 2d
15 09:23:04 20260511-0913-B400_B.11-15 10 H1_Day g36620hh + + - + + + + Ref HH38.2 Group Mills_D 2d sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:20:16 20260511-0855-B400_B.11-4 1590201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1590201 Group Abbenseth_J SiRi159 SbCyNNN IodobenzeneCF3 in DFB after 4 days topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
1 09:04:50 20260505-1014-B400_B.11-1 15 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/15/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/15/pdata/1/peaks No peak is found in the specified ranges!
3 09:02:45 20260511-0854-B400_B.11-3 1560902 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1560801 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 5 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
3 08:57:57 20260511-0854-B400_B.11-3 1560901 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560801 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 5 days 595nm
2 08:54:32 20260511-0852-B400_B.11-2 1550801 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1550801 Group Abbenseth_J SiRi155 SbCyNNN NaBArF IodobenzeneCF3 in Acetonitrile after 4 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
34 08:28:39 20260511-0814-B400_B.11-33 21 C13_CPD_Day x06125gb - + - - - + + Ref GCGB453Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 08:25:29 20260511-0814-B400_B.11-33 20 H1_Day x06125gb + + - + + + + Ref GCGB453Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 08:21:46 20260511-0814-B400_B.11-33 10 H1_Day x06125gb + + - + + + + Ref GCGBBiotinF1 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 08:19:30 20260511-0804-B400_B.11-32 2340531 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Benzald - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 08:15:05 20260511-0804-B400_B.11-32 2340501 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Benzald - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 08:13:40 20260511-0801-B400_B.11-29 2400233 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-40 Group Abbenseth_J JA-SiS-II-40 P(NNN) NH3 DCE - 31P
30 08:12:15 20260511-0801-B400_B.11-29 2400232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-40 Group Abbenseth_J JA-SiS-II-40 P(NNN) NH3 DCE - 31P
30 08:09:21 20260511-0801-B400_B.11-29 2400231 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-II-40 Group Abbenseth_J JA-SiS-II-40 P(NNN) NH3 DCE - 31P{1H}
29 08:07:56 20260511-0801-B400_B.11-29 2390233 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-39 Group Abbenseth_J JA-SiS-II-39 P(NNN) NH3 - 31P
29 08:06:30 20260511-0801-B400_B.11-29 2390232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-39 Group Abbenseth_J JA-SiS-II-39 P(NNN) NH3 - 31P
29 08:03:21 20260511-0801-B400_B.11-29 2390231 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-II-39 Group Abbenseth_J JA-SiS-II-39 P(NNN) NH3 - 31P{1H}
28 23:18:10 20260510-2156-B400_B.11-25 32 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-2-646-1+2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 23:03:54 20260510-2156-B400_B.11-25 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-646-1+2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 22:59:00 20260510-2156-B400_B.11-25 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-646-1+2 Group Procter_D
25 22:31:45 20260510-2156-B400_B.11-25 12 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-2-646-4+5 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 22:17:30 20260510-2156-B400_B.11-25 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-646-4+5 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 22:11:25 20260510-2156-B400_B.11-25 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-646-4+5 Group Procter_D
26 22:06:01 20260510-2156-B400_B.11-25 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-646-3 Group Procter_D
24 21:08:27 20260510-1604-B400_B.11-24 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-745-(b)-prep-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 21:04:47 20260510-1559-B400_B.11-23 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-3Br-4Ph-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 20:53:25 20260510-1954-B400_B.11-28 10 H1_Quant_Night d93111sd + + - + + + + Ref IL-SD-419 Group Larrosa_I
27 20:41:45 20260505-1730-B400_B.11-27 11 H1_Quant_Night d93111sd + + - + + + + Ref IL-SD-418 Group Larrosa_I
26 20:30:24 20260510-1953-B400_B.11-25 20 H1_Quant_Night d93111sd + + - + + + + Ref IL-SD-417 Group Larrosa_I
25 20:19:59 20260510-1953-B400_B.11-25 10 H1_Quant_Night d93111sd + + - + + + + Ref IL-SD-420a Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 19:26:08 20260510-1558-B400_B.11-22 11 C13_CPD_Night1024 h68355ac - + - - - + + Ref MFG-AC-772-(a)-redo Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 19:21:36 20260510-1558-B400_B.11-22 10 H1_Night h68355ac + + - + + + + Ref MFG-AC-772-(a)-redo Group Greaney_M
21 19:18:01 20260510-1557-B400_B.11-21 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-3-Cy-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 19:15:58 20260510-1557-B400_B.11-20 12 F19_NoCPD_Day h68355ac - + - - - + + Ref MFG-AC-3-Et-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
20 19:10:56 20260510-1557-B400_B.11-20 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-3-Et-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 19:07:03 20260510-1556-B400_B.11-19 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-3-Me-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 19:00:19 20260508-1726-B400_B.11-48 22 F19_NoCPD_Night d93111sd - + - - - + + Ref IL-SD-377r Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
29 18:51:47 20260508-1726-B400_B.11-48 21 H1_Night d93111sd + + - + + + + Ref IL-SD-377r Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 18:45:01 20260505-1730-B400_B.11-27 12 F19_NoCPD_Night d93111sd - + - - - + + Ref IL-SD-420 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27 18:34:44 20260505-1730-B400_B.11-27 11 H1_Quant_Night d93111sd + + - + + + + Ref IL-SD-420 Group Larrosa_I
28 18:30:31 20260510-1609-B400_B.11-28 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1142-is Group Procter_D
26 18:25:51 20260510-1608-B400_B.11-26 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1141-is Group Procter_D
25 18:20:51 20260510-1607-B400_B.11-25 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1140-is Group Procter_D
23 18:14:06 20260510-1559-B400_B.11-23 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-3Br-4Ph-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23 17:57:13 20260510-1559-B400_B.11-23 11 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-3Br-4Ph-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 17:50:22 20260510-1557-B400_B.11-21 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-3-Cy-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
21 17:33:24 20260510-1557-B400_B.11-21 11 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-3-Cy-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 17:16:07 20260510-1557-B400_B.11-20 11 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-3-Et-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 17:09:33 20260510-1556-B400_B.11-19 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-3-Me-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
19 16:53:18 20260510-1556-B400_B.11-19 11 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-3-Me-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:56:07 20260510-1554-B400_B.11-18 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-755-(a)-prep-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 14:26:27 20260510-1425-B400_B.11-18 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1139-ac-2 Group Procter_D
3 14:11:09 20260510-1406-B400_B.11-3 10 H1_Day16 f56027ch + + - + + + + Ref 20260508 Mn disalen 1 Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 14:06:27 20260510-1406-B400_B.11-2 10 H1_Day16 f56027ch + + - + + + + Ref 20260508 deproetcted Group Schroder_M
1 09:00:01 20260505-1014-B400_B.11-1 14 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 00:59:38 20260509-1940-B400_B.11-22 25 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-637-3 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
23 00:24:47 20260509-1940-B400_B.11-22 24 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-637-3 Group Procter_D
23 00:09:34 20260509-1940-B400_B.11-22 23 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-637-3 Group Procter_D
23 00:02:29 20260509-1940-B400_B.11-22 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-637-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 23:58:05 20260509-1820-B400_B.11-51 30 H1_Day x06125gb + + - + + + + Ref GCGB2-HexyneFlush Group Crisenza_G
52 23:52:25 20260509-1820-B400_B.11-51 20 H1_Day x06125gb + + - + + + + Ref GCGB2-HexyneF1-9 Group Crisenza_G
51 23:48:24 20260509-1820-B400_B.11-51 10 H1_Day x06125gb + + - + + + + Ref GCGBSonoCy Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 22:21:53 20260509-1746-B400_B.11-56 13 H1_Night1024 b19299kh - + - - - + + Ref STL-XLD-I2-pot-3th cycle-tol washed-drops of THF Group Liddle_S
56 22:07:32 20260509-1746-B400_B.11-56 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-pot-3th cycle-tol washed-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 21:53:17 20260509-1746-B400_B.11-56 11 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-pot-3th cycle-tol washed-drops of THF Group Liddle_S
18 21:51:15 20260509-1724-B400_B.11-18 12 F19_NoCPD_Day h68355ac - + - - - + + Ref MFG-AC-CO2Et-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18 21:47:40 20260509-1724-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-CO2Et-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 20:53:54 20260509-1705-B400_B.11-49 11 C13_CPD_Night1024 h68355ac - + - - - + + Ref djp-oc-ss-di-ester-cl Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 20:45:56 20260509-1705-B400_B.11-49 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-di-ester-cl Group Procter_D
19 20:41:04 20260509-1725-B400_B.11-19 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-COPh-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 20:26:47 20260509-1940-B400_B.11-22 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-637-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 20:21:54 20260509-1940-B400_B.11-22 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-637-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 20:07:33 20260509-1940-B400_B.11-22 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-637-4-re Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 20:00:59 20260509-1940-B400_B.11-22 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-637-4-re Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 19:57:24 20260509-1934-B400_B.11-21 10 H1_Day z92209cg + + - + + + + Ref ALF130 fuelled 15min Group Leigh_D ALF130 fuelled 15min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 19:51:59 20260509-1934-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF129 fuelled 15min Group Leigh_D ALF129 fuelled 15min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 19:45:24 20260509-1725-B400_B.11-19 12 F19_NoCPD_Night h68355ac - + - - - + + Ref MFG-AC-COPh-Zincke Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
19 19:27:18 20260509-1725-B400_B.11-19 11 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-COPh-Zincke Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 19:10:01 20260509-1724-B400_B.11-18 13 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-CO2Et-Zincke Group Greaney_M
48 18:55:45 20260509-1704-B400_B.11-48 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-morph Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 18:50:38 20260509-1704-B400_B.11-48 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-morph Group Procter_D
47 18:36:23 20260509-1703-B400_B.11-47 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-sulfon Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 18:31:13 20260509-1703-B400_B.11-47 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-sulfon Group Procter_D
45 18:16:58 20260509-1702-B400_B.11-45 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-4-no2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 18:11:59 20260509-1702-B400_B.11-45 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-4-no2 Group Procter_D
44 17:57:43 20260508-1655-B400_B.11-44 12 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-isox Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 17:51:17 20260508-1655-B400_B.11-44 11 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-isox Group Procter_D
43 17:37:00 20260509-1659-B400_B.11-43 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-ss-net2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:30:59 20260509-1659-B400_B.11-43 10 H1_Night h68355ac + + - + + + + Ref djp-oc-ss-net2 Group Procter_D
42 17:17:25 20260509-1603-B400_B.11-42 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-2-637-4 Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 16:42:34 20260509-1603-B400_B.11-42 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-637-4 Group Procter_D
42 16:27:21 20260509-1603-B400_B.11-42 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-2-637-4 Group Procter_D
42 16:23:00 20260509-1603-B400_B.11-42 12 C13_DEPT135_Day a74776dr - + - - - + + Ref DJP-DR-2-637-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:08:43 20260509-1603-B400_B.11-42 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-637-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 16:04:36 20260509-1603-B400_B.11-42 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-637-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 15:52:16 20260509-1544-B400_B.11-41 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1139-ac1 Group Procter_D
39 15:17:23 20260509-1455-B400_B.11-39 12 H1_C13_HMBC_US_Night h68355ac - + - - - + + Ref djp-oc-1130-ch Group Procter_D
39 15:01:38 20260509-1455-B400_B.11-39 11 H1_C13_HSQC_US_Night h68355ac - + - - - + + Ref djp-oc-1130-ch Group Procter_D
39 14:56:35 20260509-1455-B400_B.11-39 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1130-ch Group Procter_D
38 14:41:10 20260509-1406-B400_B.11-37 2400133 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-40 Group Abbenseth_J JA-SiS-II-40 P(NNN) NH3 THF/DCE Start: 13:52PM - 31P
38 14:39:44 20260509-1406-B400_B.11-37 2400132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-40 Group Abbenseth_J JA-SiS-II-40 P(NNN) NH3 THF/DCE Start: 13:52PM - 31P
38 14:36:35 20260509-1406-B400_B.11-37 2400131 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-II-40 Group Abbenseth_J JA-SiS-II-40 P(NNN) NH3 THF/DCE Start: 13:52PM - 31P{1H}
37 14:33:51 20260509-1406-B400_B.11-37 2390133 P31_NoCPD_Day w05220ss + + - + + + + Ref JA-SiS-II-39 Group Abbenseth_J JA-SiS-II-39 P(NNN) NH3 THF Start: 135:50PM - 31P
39 14:18:56 20260509-1412-B400_B.11-39 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1130 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 14:13:45 20260509-1412-B400_B.11-39 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1130 Group Procter_D
37 14:12:19 20260509-1406-B400_B.11-37 2390132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-39 Group Abbenseth_J JA-SiS-II-39 P(NNN) NH3 THF Start: 135:50PM - 31P
37 14:09:01 20260509-1406-B400_B.11-37 2390131 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-II-39 Group Abbenseth_J JA-SiS-II-39 P(NNN) NH3 THF Start: 135:50PM - 31P{1H}
36 12:48:15 20260509-1057-B400_B.11-36 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1674 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 12:32:54 20260509-1057-B400_B.11-36 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1674 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 11:57:45 20260509-1057-B400_B.11-36 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1674 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
36 11:55:31 20260509-1057-B400_B.11-36 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1674 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 10:58:16 20260509-1057-B400_B.11-36 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1674 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 09:36:15 20260509-0935-B400_B.11-36 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1674 2nd Prep Top Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260505-1014-B400_B.11-1 13 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 05:55:51 20260508-2157-B400_B.11-59 14 H1_C13_HMBC_Night y52364mw - + - - - + + Ref GDB-MJ-346-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
59 05:40:29 20260508-2157-B400_B.11-59 13 H1_C13_HSQC_Night y52364mw - + - - - + + Ref GDB-MJ-346-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
59 05:27:00 20260508-2157-B400_B.11-59 12 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-346-FULL Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
59 04:33:15 20260508-2157-B400_B.11-59 11 C13_CPD_Night1024 y52364mw - + - - - + + Ref GDB-MJ-346-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 04:28:10 20260508-2157-B400_B.11-59 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-346-FULL Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 03:53:01 20260508-1641-B400_B.11-42 14 H1_C13_HMBC_Night n04147ed - + - - - + + Ref ED-03-060-01 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 03:37:39 20260508-1641-B400_B.11-42 13 H1_C13_HSQC_Night n04147ed - + - - - + + Ref ED-03-060-01 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 03:24:13 20260508-1641-B400_B.11-42 12 H1_COSY_HiRes_Night n04147ed - + - - - + + Ref ED-03-060-01 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 03:09:57 20260508-1641-B400_B.11-42 11 C13_CPD_Night256 n04147ed - + - - - + + Ref ED-03-060-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 03:04:25 20260508-1641-B400_B.11-42 10 H1_Night n04147ed + + - + + + + Ref ED-03-060-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 02:12:51 20260508-1639-B400_B.11-41 15 H1_NOESY_US_Night n04147ed + + - + + + + Ref ED-03-059-01 Group James_M
43 02:07:08 20260509-0154-B400_B.11-43 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-542-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 01:31:57 20260508-1639-B400_B.11-41 14 H1_C13_HMBC_Night n04147ed - + - - - + + Ref ED-03-059-01 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 01:13:14 20260508-1639-B400_B.11-41 13 H1_C13_HSQC_Night n04147ed + + - + + + + Ref ED-03-059-01 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 00:17:41 20260508-1506-B400_B.11-5 10 C13_CPD_Night1024 v73981ac + + - + + + + Ref ILAC205B-F2 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 23:48:28 20260507-2238-B400_B.11-51 61 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-8-20260501a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 23:18:41 20260507-2238-B400_B.11-51 51 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-7-20260501a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 23:12:22 20260508-2250-B400_B.11-57 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-641-1 Group Procter_D
54 22:43:09 20260507-2238-B400_B.11-51 41 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-4-20260501a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 22:38:56 20260508-2211-B400_B.11-57 10 H1_Night f56027ch + + - + + + + Ref 20260508 disalen propylene Mn solid Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 22:08:58 20260507-2238-B400_B.11-51 31 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-3-20260501a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 22:03:12 20260508-2156-B400_B.11-58 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 21:58:07 20260508-2155-B400_B.11-57 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-D5 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 21:28:53 20260507-2238-B400_B.11-51 21 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-2-20260501a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 20:58:54 20260507-2238-B400_B.11-51 11 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-1-20260501a-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 20:02:29 20260507-1756-B400_B.11-44 21 C13_CPD_Night1024 m09677nb + + - + + + + Ref thiophen cf3 1st Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 19:03:56 20260507-1756-B400_B.11-44 31 C13_CPD_Night1024 m09677nb + + - + + + + Ref 4 ome cf3 1st Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 18:59:59 20260508-1827-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF130 prefuel 2 Group Leigh_D ALF130 prefuel 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 18:55:28 20260508-1826-B400_B.11-59 10 H1_Day z92209cg + + - + + + + Ref ALF129 prefuel 2 Group Leigh_D ALF129 prefuel 2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 18:41:12 20260508-1750-B400_B.11-58 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-867XHD1B-4thcycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 18:29:37 20260508-1750-B400_B.11-58 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-I2-867XHD1B-4thcycle-drops of THF Group Liddle_S
58 18:24:58 20260508-1750-B400_B.11-58 10 H1_Night b19299kh + + - + + + + Ref STL-XLD-I2-867XHD1B-4thcycle-drops of THF Group Liddle_S
49 18:20:30 20260508-1726-B400_B.11-49 10 H1_Night a53046hl + + - + + + + Ref QBB-G58-F9 Group Leigh_D
48 18:16:18 20260508-1726-B400_B.11-48 10 H1_Night a53046hl + + - + + + + Ref QBB-G58-F7 Group Leigh_D
47 18:11:22 20260508-1725-B400_B.11-47 10 H1_Night a53046hl + + - + + + + Ref QBB-G58-F6 Group Leigh_D
43 17:57:54 20260508-1641-B400_B.11-43 12 H1_COSY_HiRes_Night n04147ed - + - - - + + Ref ED-03-060-02 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
43 17:43:38 20260508-1641-B400_B.11-43 11 C13_CPD_Night256 n04147ed - + - - - + + Ref ED-03-060-02 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:38:25 20260508-1641-B400_B.11-43 10 H1_Night n04147ed + + - + + + + Ref ED-03-060-02 Group James_M
41 17:20:16 20260508-1639-B400_B.11-41 12 H1_COSY_HiRes_Night n04147ed + + - + + + + Ref ED-03-059-01 Group James_M mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
49 17:14:37 20260508-1712-B400_B.11-49 10 H1_Day16 z92209cg + + - + + + + Ref sl-9104-17:00 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 17:11:07 20260508-1658-B400_B.11-48 10 H1_Day z92209cg + + - + + + + Ref GCP-P-001 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 17:07:28 20260508-1657-B400_B.11-47 10 H1_Day z92209cg + + - + + + + Ref ALF130 prefuel Group Leigh_D ALF130 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 17:02:54 20260508-1655-B400_B.11-44 10 H1_Day z92209cg + + - + + + + Ref ALF129 prefuel Group Leigh_D ALF129 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:47:37 20260508-1639-B400_B.11-41 11 C13_CPD_Night256 n04147ed - + - - - + + Ref ED-03-059-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 16:42:34 20260508-1639-B400_B.11-41 10 H1_Night n04147ed + + - + + + + Ref ED-03-059-01 Group James_M
2 16:28:14 20260508-1627-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALFP3PtCl2 test Group Leigh_D internal standard present sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 16:18:11 20260508-1553-B400_B.11-16 1590101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1590101 Group Abbenseth_J SiRi159 SbCyNNN IodobenzeneCF3 in DFB after 1 day 595nm topshim: TopshimRawCheck - the signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
15 16:12:35 20260508-1549-B400_B.11-15 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.1 Group Mills_D 5h sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260508-1549-B400_B.11-15/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260508-1549-B400_B.11-15/12/pdata/1/peaks!
15 16:08:10 20260508-1549-B400_B.11-15 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH38.1 Group Mills_D 5h
15 16:05:10 20260508-1549-B400_B.11-15 10 H1_Day g36620hh + + - + + + + Ref HH38.1 Group Mills_D 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 16:01:45 20260508-1544-B400_B.11-14 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1139-b-is Group Procter_D
13 15:58:35 20260508-1544-B400_B.11-13 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1134-c-is Group Procter_D
11 15:54:25 20260508-1537-B400_B.11-11 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-42 F11 Group Riddell_I
10 15:50:57 20260508-1531-B400_B.11-10 10 H1_Day j26946hi + + - + + + + Ref HI-1-57 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:48:25 20260508-1049-B400_B.11-9 1550703 C13_CPD_Day c96786as - + - - - + + Ref sjw-as-36-5-1 Group Webb_S sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Webb_S/data/c96786as/nmr/20260508-1049-B400_B.11-9/1550703/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Webb_S/data/c96786as/nmr/20260508-1049-B400_B.11-9/1550703/pdata/1/peaks No peak is found in the specified ranges!
9 15:44:57 20260508-1049-B400_B.11-9 1550702 H1_Day c96786as + + - + + + + Ref sjw-as-36-5-1 Group Webb_S
8 15:40:11 20260508-1517-B400_B.11-8 10 H1_Day m52750pm + + - + + + + Ref GCPM327F5 Group Crisenza_G
7 15:35:23 20260508-1516-B400_B.11-7 10 H1_Day m52750pm + + - + + + + Ref GCPM327F3 Group Crisenza_G
6 15:31:11 20260508-1516-B400_B.11-6 10 H1_Day m52750pm + + - + + + + Ref GCPM327F2 Group Crisenza_G
4 15:26:29 20260508-1516-B400_B.11-4 10 H1_Day m52750pm + + - + + + + Ref GCPM327F1 Group Crisenza_G
3 15:22:30 20260508-1515-B400_B.11-3 10 H1_Day m52750pm + + - + + + + Ref GCMA2-cr Group Crisenza_G
2 15:17:41 20260508-1509-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF128 test Group Leigh_D Buffer 7.0 20 eq sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 15:11:52 20260508-1454-B400_B.11-59 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-028-P1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 15:07:02 20260508-1452-B400_B.11-58 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 C2 F14 Group Riddell_I
57 15:02:03 20260508-1451-B400_B.11-57 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 C2 F12 Group Riddell_I
56 14:48:00 20260507-2238-B400_B.11-51 60 H1_Night128 w61916tz + + - + + + + Ref sy-tz-8-20260501a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 14:43:28 20260508-1442-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref ALF128 test Group Leigh_D buffer 7.0 10 eq sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 14:40:58 20260508-1428-B400_B.11-11 666 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-666 Group Abbenseth_J SiRitest555 Trifluorotoluene and Iodotrifluorotoluene in DFB topshim: TopshimRawCheck - no signal at all, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
10 14:37:14 20260508-1427-B400_B.11-10 555 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-555 Group Abbenseth_J SiRitest555 Trifluorotoluene and Iodotrifluorotoluene in Acetonitrile log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
9 14:33:59 20260508-1049-B400_B.11-9 1550701 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1550701 Group Abbenseth_J SiRi1585SbCyNNN NBArF IodobenzeneCF3 in Acetonitrile after 8 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 14:31:51 20260508-1047-B400_B.11-8 1560802 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1560801 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 48h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 14:27:09 20260508-1047-B400_B.11-8 1560801 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560801 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 48h 595nm
2 14:23:46 20260508-1418-B400_B.11-2 10 H1_Day w61916tz + + - + + + + Ref sy-tz-6-20260501a-1h Group Yang_S
60 14:20:12 20260508-0958-B400_B.11-59 21 H1_Day z86427mk + + - + + + + Ref MK-330-B F16 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 14:16:12 20260508-1402-B400_B.11-59 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1136-ac-s3 Group Procter_D
58 14:12:01 20260508-1402-B400_B.11-58 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1136-ac-s1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 14:06:03 20260508-1359-B400_B.11-57 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1668 Column Bottom Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 13:51:47 20260507-2238-B400_B.11-51 50 H1_Night128 w61916tz + + - + + + + Ref sy-tz-7-20260501a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 13:51:17 20260508-1337-B400_B.11-40 10 H1_Day z92209cg - - - - - - - Ref ALF128 test Group Leigh_D 10 eq of Buffer 7.0
38 13:37:01 20260508-0916-B400_B.11-38 13 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-Br2-9thcycle-washeed by tol-drps of tHF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 13:32:25 20260508-1325-B400_B.11-58 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-346-P2 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 13:27:40 20260508-1324-B400_B.11-57 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-346-P1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 13:14:09 20260507-2238-B400_B.11-51 40 H1_Night128 w61916tz + + - + + + + Ref sy-tz-4-20260501a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 13:00:02 20260507-2238-B400_B.11-51 30 H1_Night128 w61916tz + + - + + + + Ref sy-tz-3-20260501a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 12:53:00 20260508-1248-B400_B.11-57 10 H1_Day16 p13528bg + + - + + + + Ref BG-019b) PostWash Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 12:38:59 20260507-2238-B400_B.11-51 20 H1_Night128 w61916tz + + - + + + + Ref sy-tz-2-20260501a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 12:37:33 20260508-1156-B400_B.11-35 13 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260508-1156-B400_B.11-35/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260508-1156-B400_B.11-35/13/pdata/1/peaks!
35 12:36:07 20260508-1156-B400_B.11-35 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_V2_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260508-1156-B400_B.11-35/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260508-1156-B400_B.11-35/12/pdata/1/peaks!
35 12:33:45 20260508-1156-B400_B.11-35 11 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 12:28:46 20260508-1156-B400_B.11-35 10 H1_Day16 z89001ep + + - + + + + Ref YBH4_BIPP(Ph)_ScU_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 12:24:28 20260508-1217-B400_B.11-50 10 H1_Day z92209cg + + - + + + + Ref ALF128 test Group Leigh_D buffer 7.0 10 eq sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 12:22:33 20260508-1154-B400_B.11-49 11 C13_CPD_Day z40973rs - + - - - + + Ref gdb-tlt-23-100-wide Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 12:19:10 20260508-1154-B400_B.11-49 10 H1_Wide_Day z40973rs + + - + + + + Ref gdb-tlt-23-100-wide Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 12:17:10 20260508-1152-B400_B.11-48 11 C13_CPD_Day z40973rs - + - - - + + Ref gdb-tlt-22-100-wide Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 12:13:17 20260508-1152-B400_B.11-48 10 H1_Wide_Day z40973rs + + - + + + + Ref gdb-tlt-22-100-wide Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 12:07:24 20260508-1157-B400_B.11-42 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-029cr Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 12:03:29 20260508-1146-B400_B.11-41 10 F19_NoCPD_Day m14269jw + + - + + + + Ref IR-JW-4045-PFHS Group Riddell_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/m14269jw/nmr/20260508-1146-B400_B.11-41/10/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/m14269jw/nmr/20260508-1146-B400_B.11-41/10/pdata/1/peaks!
40 11:58:43 20260508-1136-B400_B.11-40 10 H1_Day a53046hl + + - + + + + Ref ALF128 test Group Leigh_D Buffer 5 eq sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 11:48:04 20260508-1133-B400_B.11-39 10 H1_Day a53046hl + + - + x + + Ref QBB-G52-postC2 Group Leigh_D topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range TopshimWaitForEvent - lock system status ready : timeout after 300 sec TopshimWaitForEvent - locked in : timeout after 60 sec TopshimAutoLock - could not lock in successfully, Shim failed, Lock anomaly during acquisition, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 11:30:50 20260508-0916-B400_B.11-38 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-I2-Br2-9thcycle-washeed by tol-drps of tHF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 11:26:23 20260508-1118-B400_B.11-14 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-D4 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 11:21:46 20260508-1101-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref ALF128 test Group Leigh_D Buffer 0 eq sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 11:16:42 20260508-1058-B400_B.11-10 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-030 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 11:11:34 20260508-1058-B400_B.11-10 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-031 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 11:07:57 20260508-1049-B400_B.11-9 1580101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1580101 Group Abbenseth_J SiRi158 SbCyNNN IodobenzeneCF3 in THF after 1 night 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 11:05:50 20260508-1047-B400_B.11-8 1560702 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1560701 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 44h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 11:01:24 20260508-1047-B400_B.11-8 1560701 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560701 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 44h 595nm
7 10:57:02 20260508-1026-B400_B.11-6 20 H1_Day x06125gb + + - + + + + Ref GCGB440Cr3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:52:52 20260508-1026-B400_B.11-6 10 H1_Day x06125gb + + - + + + + Ref GCGB2-HexyneF10-16 Group Crisenza_G
5 10:47:25 20260508-1023-B400_B.11-5 10 H1_Day16 p13528bg + + - + + + + Ref BG-019b) oil in crude Group De bo_G
4 10:42:14 20260508-1022-B400_B.11-4 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1674 Prep Top Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:35:55 20260508-1021-B400_B.11-3 10 H1_Day16 p13528bg + + - + + + + Ref BG-019b) crude extraction small 16h Group De bo_G
2 10:32:04 20260508-1000-B400_B.11-2 10 H1_Day z92209cg + + - + + + + Ref ALF127 fuelled 2.5d Group Leigh_D ALF127 fuelled 2.5d sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 10:31:35 20260508-0958-B400_B.11-59 20 H1_Day16 b26045ab - - - - - - - Ref AT-ABO-03-031cr Group Trowbridge_A
59 10:26:51 20260508-0958-B400_B.11-59 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-030cr Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 10:21:45 20260508-0956-B400_B.11-58 10 H1_Day16 p13528bg + + - + + + + Ref BG-019b) oil in crude 16h Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 10:07:52 20260508-0954-B400_B.11-57 10 H1_Quant_D1_25s_Day j40457bh + + - + + + + Ref bh se 28a Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 09:53:48 20260507-2238-B400_B.11-51 10 H1_Night128 w61916tz + + - + + + + Ref sy-tz-120260501a-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 09:38:13 20260507-1756-B400_B.11-44 30 H1_Night128 m09677nb + + - + + + + Ref 4 ome cf3 1st Group Greaney_M
38 09:34:33 20260508-0916-B400_B.11-38 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2-Br2-9thcycle-washeed by tol-drps of tHF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 09:29:43 20260508-0926-B400_B.11-47 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 C2 F10 Group Riddell_I
45 09:15:19 20260507-1756-B400_B.11-44 20 H1_Night128 m09677nb + + - + + + + Ref thiophen cf3 1st Group Greaney_M
1 09:00:00 20260505-1014-B400_B.11-1 12 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/12/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/12/pdata/1/peaks No peak is found in the specified ranges!
47 08:26:26 20260508-0801-B400_B.11-47 10 F19_NoCPD_Day m14269jw + + - + + + + Ref IR-JW-4047-OvernightHeated-PFHS Group Riddell_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'D2O' SR is set to 0.0
3 08:23:02 20260507-1935-B400_B.11-3 10 H1_Day z16689fe + + - + + + + Ref DJP FE 428 Group Procter_D
44 07:29:16 20260507-1756-B400_B.11-44 11 C13_CPD_Night1024 m09677nb - + - - - + + Ref thiophen cf3 2nd Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 07:14:35 20260507-1756-B400_B.11-44 10 H1_Night128 m09677nb + + - + + + + Ref thiophen cf3 2nd Group Greaney_M
5 06:39:26 20260507-1709-B400_B.11-5 14 H1_C13_HMBC_Night j65215tk - + - - - + + Ref TGK-1025-1 Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 06:24:05 20260507-1709-B400_B.11-5 13 H1_C13_HSQC_Night j65215tk - + - - - + + Ref TGK-1025-1 Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 06:10:38 20260507-1709-B400_B.11-5 12 H1_COSY_HiRes_Night j65215tk - + - - - + + Ref TGK-1025-1 Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
5 05:56:23 20260507-1709-B400_B.11-5 11 C13_CPD_Night256 j65215tk - + - - - + + Ref TGK-1025-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 05:50:08 20260507-1709-B400_B.11-5 10 H1_Night j65215tk + + - + + + + Ref TGK-1025-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 05:15:00 20260507-1605-B400_B.11-6 17 H1_C13_HMBC_Night f11141tm - + - - - + + Ref Salen(CH3) CNMR_HMBC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 04:59:39 20260507-1605-B400_B.11-6 16 H1_C13_HSQC_Night f11141tm - + - - - + + Ref Salen(CH3) CNMR_HSQC Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 04:57:20 20260507-1605-B400_B.11-6 15 H1_Night f11141tm - + - - - + + Ref Salen(CH3) HNMR_HSQC Group Yang_S
6 04:30:02 20260507-1605-B400_B.11-6 14 C13_DEPTQ_Night f11141tm - + - - - + + Ref Salen(CH3) CNMR_DEPTQ Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 04:02:48 20260507-1605-B400_B.11-6 9 C13_DEPT135_Night f11141tm - + - - - + + Ref Salen(CH3) CNMR_DEPT135 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 03:32:52 20260507-1605-B400_B.11-6 12 C13_DEPT90_Night f11141tm + + - + + + + Ref Salen(CH3) CNMR_DEPT90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 03:18:04 20260507-1553-B400_B.11-2 13 B11_NoCPD_Night g36620hh - + - - - + + Ref HH38.0 Group Mills_D Y(BH4)3(THF)3 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260507-1553-B400_B.11-2/13/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260507-1553-B400_B.11-2/13/pdata/1/peaks!
2 03:12:28 20260507-1553-B400_B.11-2 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH38.0 Group Mills_D Y(BH4)3(THF)3 sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260507-1553-B400_B.11-2/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260507-1553-B400_B.11-2/12/pdata/1/peaks!
2 02:42:54 20260507-1553-B400_B.11-2 11 C13_DEPTQ_Night g36620hh + + - + + + + Ref HH38.0 Group Mills_D Y(BH4)3(THF)3 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 01:45:32 20260507-1552-B400_B.11-23 10 C13_CPD_Night1024 v73981ac + + - + + + + Ref ILAC205B-F1 Group Larrosa_I
11 00:15:00 20260507-1334-B400_B.11-11 11 H1_Night1024 h68355ac + + - + + + + Ref djp-oc-1133-acb Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 23:17:48 20260506-1707-B400_B.11-25 11 C13_CPD_Night1024 m09677nb + + - + + + + Ref thiophene cf3 1st Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 21:48:45 20260506-1639-B400_B.11-58 10 H1_Night1024 z40973rs + + - + + + + Ref gdb-tlt-11-re Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 21:34:25 20260507-1952-B400_B.11-21 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-640-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 21:30:01 20260507-1952-B400_B.11-21 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-640-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 21:15:45 20260507-1952-B400_B.11-21 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-641-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 21:10:51 20260507-1952-B400_B.11-21 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-641-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 20:57:18 20260506-1157-B400_B.11-20 11 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-tlt-soni2-40-1k scans Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
20 19:28:09 20260506-1157-B400_B.11-20 10 H1_Night1024 z40973rs + + - + + + + Ref gdb-tlt-soni2-40-1k scans Group De bo_G
28 18:30:25 20260506-1155-B400_B.11-28 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-816-col-C-S2 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 18:16:59 20260507-1742-B400_B.11-43 12 H1_COSY_HiRes_Night h68355ac - + - - - + + Ref djp-oc-1139-crude Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
43 18:01:45 20260507-1742-B400_B.11-43 11 H1_C13_HSQC_US_Night h68355ac - + - - - + + Ref djp-oc-1139-crude Group Procter_D
43 17:55:54 20260507-1742-B400_B.11-43 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1139-crude Group Procter_D
42 17:50:05 20260507-1717-B400_B.11-42 10 H1_Night c96786as + + - + + + + Ref sjw-as-36-6 Group Webb_S
41 17:35:49 20260507-1716-B400_B.11-41 11 C13_CPD_Night256 c96786as - + - - - + + Ref sjw-as-36-5 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 17:30:08 20260507-1716-B400_B.11-41 10 H1_Night c96786as + + - + + + + Ref sjw-as-36-5 Group Webb_S
43 17:25:38 20260507-1718-B400_B.11-43 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 5 days sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 17:22:35 20260507-1718-B400_B.11-43 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 5 days
40 17:18:00 20260507-1716-B400_B.11-40 10 H1_Night c96786as + + - + + + + Ref sjw-as-36-4 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:14:47 20260507-1706-B400_B.11-34 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1136-b-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 17:10:14 20260507-1705-B400_B.11-33 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1139-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 17:05:56 20260507-1704-B400_B.11-32 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1134-b-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 16:53:31 20260507-1518-B400_B.11-21 1560702 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1560601 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 26h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21 16:48:07 20260507-1518-B400_B.11-21 1560701 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560701 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 28h 595nm
6 16:33:21 20260507-1605-B400_B.11-6 11 C13_CPD_Night256 f11141tm - + - - - + + Ref Salen(CH3) CNMR_CPD ns256 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 16:19:14 20260507-1605-B400_B.11-6 10 H1_Night128 f11141tm + + - + + + + Ref Salen(CH3) HNMR ns128 Group Yang_S
4 16:11:03 20260507-1557-B400_B.11-3 2290731 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 F4 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 16:06:44 20260507-1557-B400_B.11-3 2290701 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 F4 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 16:04:03 20260507-1557-B400_B.11-3 2290631 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 F3 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 15:59:09 20260507-1557-B400_B.11-3 2290601 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 F3 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 15:54:58 20260507-1553-B400_B.11-2 10 H1_Night g36620hh + + - + + + + Ref HH38.0 Group Mills_D Y(BH4)3(THF)3 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 15:38:22 20260507-1534-B400_B.11-23 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-42 F15 Group Riddell_I
22 15:34:23 20260507-1533-B400_B.11-22 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 R1 L Group Riddell_I
21 15:32:13 20260507-1518-B400_B.11-21 1560602 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1560601 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 26h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21 15:27:31 20260507-1518-B400_B.11-21 1560601 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560601 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 26h 595nm
19 15:22:05 20260507-1511-B400_B.11-19 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-4 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 15:16:33 20260507-1510-B400_B.11-18 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-345 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 15:10:49 20260507-1510-B400_B.11-17 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-345-R1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 14:51:10 20260507-1434-B400_B.11-16 10 H1_Day x06125gb + + - + + + + Ref RK9-E6-F6 Group Crisenza_G
15 14:47:08 20260507-1433-B400_B.11-15 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 C2 D16 Group Riddell_I
14 14:42:21 20260507-1432-B400_B.11-14 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 C2 F13 Group Riddell_I
13 14:38:20 20260507-1423-B400_B.11-13 10 B11_NoCPD_Day n29715ss + + - + + + + Ref DJHP-SS-5minsrxn Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/n29715ss/nmr/20260507-1423-B400_B.11-13/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/n29715ss/nmr/20260507-1423-B400_B.11-13/10/pdata/1/peaks!
10 14:20:50 20260507-1319-B400_B.11-10 12 C13_CPD_Night256 j26946hi + + - + + + + Ref HI-1-55 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 14:16:20 20260507-1357-B400_B.11-13 10 H1_Day j40457bh + + - + + + + Ref bh se24 plug1 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 14:11:31 20260507-1334-B400_B.11-11 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1133-acb Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 14:09:47 20260507-1319-B400_B.11-10 11 P31_Wide_Day j26946hi - + - - - + + Ref HI-1-55 Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
10 14:05:22 20260507-1319-B400_B.11-10 10 H1_Day j26946hi + + - + + + + Ref HI-1-55 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 14:03:38 20260507-1319-B400_B.11-9 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-41C Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
9 13:58:50 20260507-1319-B400_B.11-9 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-41C Group Trowbridge_A
8 13:56:19 20260507-1319-B400_B.11-8 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-52C Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
8 13:44:09 20260507-1319-B400_B.11-8 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-52C Group Trowbridge_A
7 13:39:20 20260507-1306-B400_B.11-7 10 H1_Day c96786as + + - + + + + Ref sjw-as-36cr Group Webb_S
6 13:35:54 20260507-1318-B400_B.11-6 10 H1_Day u67812sg + + - + + + + Ref sq-2-27-10 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:32:38 20260507-1317-B400_B.11-5 10 H1_Day u67812sg + + - + + + + Ref sq-2-27-9 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 13:29:16 20260507-1317-B400_B.11-4 10 H1_Day u67812sg + + - + + + + Ref sq-2-27-8 Group Procter_D
3 13:25:52 20260507-1317-B400_B.11-3 10 H1_Day u67812sg + + - + + + + Ref sq-2-27-7 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:21:21 20260507-1316-B400_B.11-2 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F12 Group Riddell_I
60 13:04:51 20260507-1237-B400_B.11-60 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD_more sample-867XLD4B-3thcycle Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 12:59:41 20260507-1246-B400_B.11-22 10 H1_Day c96786as + + - + + + + Ref sjw-as-36-1 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 12:52:55 20260507-1252-B400_B.11-2 10 H1_Day16 p13528bg + + - + + + + Ref BG-017b) PostWash Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 12:41:19 20260507-1237-B400_B.11-60 11 H1_Night128 b19299kh - + - - - + + Ref STL-XLD_more sample-867XLD4B-3thcycle Group Liddle_S
60 12:38:24 20260507-1237-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD_more sample-867XLD4B-3thcycle Group Liddle_S
56 12:17:36 20260507-1201-B400_B.11-55 2290532 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 TGF Colloumn - F2 - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:15:52 20260507-1201-B400_B.11-55 2290531 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 TGF Colloumn - F2 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:11:27 20260507-1201-B400_B.11-55 2290501 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 TGF Colloumn - F2 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:10:01 20260507-1201-B400_B.11-55 2290432 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 TGF Colloumn - F1 - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260507-1201-B400_B.11-55/2290432/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260507-1201-B400_B.11-55/2290432/pdata/1/peaks!
55 12:08:16 20260507-1201-B400_B.11-55 2290431 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 TGF Colloumn - F1 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 12:03:27 20260507-1201-B400_B.11-55 2290401 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-29 Group Abbenseth_J JA-SiS-II-29 TGF Colloumn - F1 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 11:59:02 20260507-1149-B400_B.11-54 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 F16 Group Riddell_I
53 11:53:54 20260507-1149-B400_B.11-53 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-F13 Group Riddell_I
52 11:52:28 20260507-1141-B400_B.11-52 13 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 11:51:03 20260507-1141-B400_B.11-52 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 11:48:40 20260507-1141-B400_B.11-52 11 P31_CPD_Day z89001ep - + - - - + + Ref YBH4_BIPP(Ph)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 11:44:26 20260507-1141-B400_B.11-52 10 H1_Day16 z89001ep + + - + + + + Ref YBH4_BIPP(Ph)_ScU_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 11:23:28 20260507-1031-B400_B.11-60 12 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD_867XLD4B-I2-3th cycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 11:21:13 20260507-1114-B400_B.11-51 11 C13_CPD_Day f09303eg - + - - - + + Ref EG63 Group Webb_S sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260507-1114-B400_B.11-51/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Webb_S/data/f09303eg/nmr/20260507-1114-B400_B.11-51/11/pdata/1/peaks No peak is found in the specified ranges!
51 11:16:17 20260507-1114-B400_B.11-51 10 H1_Day f09303eg + + - + + + + Ref EG63 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 11:02:41 20260507-1031-B400_B.11-60 11 H1_Night128 b19299kh + + - + + + + Ref STL-XLD_867XLD4B-I2-3th cycle-drops of THF Group Liddle_S
25 10:47:35 20260506-1707-B400_B.11-25 10 H1_Night128 m09677nb + + - + + + + Ref thiophene cf3 1st Group Greaney_M
60 10:44:08 20260507-1031-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD_867XLD4B-I2-3th cycle-drops of THF Group Liddle_S
14 10:39:39 20260507-1009-B400_B.11-14 1570101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1570101 Group Abbenseth_J SiRi157 finished ligand from big batch BH4 in benzene MeOH mix
13 10:34:47 20260507-0957-B400_B.11-13 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 F17 Group Riddell_I
11 10:29:57 20260507-0957-B400_B.11-11 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 F14 Group Riddell_I
10 10:28:31 20260507-0949-B400_B.11-9 2350332 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-35 Group Abbenseth_J JA-SiS-II-35 P(NNN) HCl - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 10:26:47 20260507-0949-B400_B.11-9 2350331 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-35 Group Abbenseth_J JA-SiS-II-35 P(NNN) HCl - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 10:22:34 20260507-0949-B400_B.11-9 2350301 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-35 Group Abbenseth_J JA-SiS-II-35 P(NNN) HCl - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 10:20:17 20260507-0949-B400_B.11-9 2340431 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Benzald - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 10:15:56 20260507-0949-B400_B.11-9 2340401 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Benzald - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:09:55 20260507-0947-B400_B.11-7 20 H1_Day16 p13528bg + + - + + + + Ref BG-017b) small crude no-wash Group De bo_G
7 10:02:47 20260507-0947-B400_B.11-7 10 H1_Day16 p13528bg + + - + + + + Ref BG-017b) small crude wash Group De bo_G
6 09:59:00 20260507-0930-B400_B.11-6 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-43 R1 Group Riddell_I
5 09:55:36 20260507-0929-B400_B.11-5 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-36G.3 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:53:24 20260507-0912-B400_B.11-4 11 C13_CPD_Day z40241jm - + - - - + + Ref DJP-JIM-8-085-2a-fullchar Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:48:39 20260507-0912-B400_B.11-4 10 H1_Day16 z40241jm + + - + + + + Ref DJP-JIM-8-085-2a-fullchar Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:44:55 20260507-0911-B400_B.11-3 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1133-is Group Procter_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:41:16 20260507-0910-B400_B.11-2 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1132-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:27:39 20260505-1014-B400_B.11-1 10 H1_make_shim.icon service - + - - - + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/10/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/10/pdata/1/peaks No peak is found in the specified ranges!
1 09:10:15 20260505-1014-B400_B.11-1 11 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260505-1014-B400_B.11-1/11/pdata/1/peaks No peak is found in the specified ranges!
24 09:02:34 20260506-1651-B400_B.11-24 10 H1_Night c96786as + + - + + + + Ref sjw-as-36-3 Group Webb_S
1 09:01:53 20260505-1014-B400_B.11-1 11 H1_make_shim.icon service - - - - - - - Ref sucrose shim Group Service
23 08:55:29 20260506-1651-B400_B.11-23 10 H1_Night c96786as + + - + + + + Ref sjw-as-36-2 Group Webb_S
22 16:52:50 20260506-1650-B400_B.11-22 10 H1_Night c96786as x - - - - - - Ref sjw-as-36-1 Group Webb_S WebService Error: 103.310.191:Busy:Changer has been busy for the past 5 minutes. Cannot transfer the sample.
53 16:44:43 20260506-1642-B400_B.11-53 10 H1_Night z40241jm x - - - - - - Ref DJP-JIM-8-085-2a-fullchar Group Procter_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
31 16:43:26 20260506-1429-B400_B.11-31 11 C13_CPD_Night256 h68355ac - - - - - - - Ref djp-oc-ss-3-ac Group Procter_D
49 16:38:58 20260506-1618-B400_B.11-49 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 F20 Group Riddell_I
48 16:34:18 20260506-1617-B400_B.11-48 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 F15 Group Riddell_I
47 16:32:53 20260506-1611-B400_B.11-46 2181132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-18 Group Abbenseth_J JA-SiS-II-18 P(NNN) PA white stuff that fell out during crystallization - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260506-1611-B400_B.11-46/2181132/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260506-1611-B400_B.11-46/2181132/pdata/1/peaks!
47 16:31:09 20260506-1611-B400_B.11-46 2181131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-18 Group Abbenseth_J JA-SiS-II-18 P(NNN) PA white stuff that fell out during crystallization - 31P{1H} sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260506-1611-B400_B.11-46/2181131/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260506-1611-B400_B.11-46/2181131/pdata/1/peaks!
47 16:26:37 20260506-1611-B400_B.11-46 2181101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-18 Group Abbenseth_J JA-SiS-II-18 P(NNN) PA white stuff that fell out during crystallization - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 16:25:11 20260506-1611-B400_B.11-46 2370232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-37 Group Abbenseth_J JA-SiS-II-37 P(NNN) HNEt2 - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 16:22:55 20260506-1611-B400_B.11-46 2370231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-37 Group Abbenseth_J JA-SiS-II-37 P(NNN) HNEt2 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 16:18:47 20260506-1611-B400_B.11-46 2370201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-37 Group Abbenseth_J JA-SiS-II-37 P(NNN) HNEt2 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 16:13:41 20260506-1604-B400_B.11-45 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 4 days sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 16:10:16 20260506-1604-B400_B.11-45 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 4 days
44 16:04:35 20260506-1549-B400_B.11-44 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH37.2 Group Mills_D C6D6 /w THF sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260506-1549-B400_B.11-44/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260506-1549-B400_B.11-44/12/pdata/1/peaks!
44 15:59:41 20260506-1549-B400_B.11-44 11 C13_DEPTQ_Day g36620hh - + - - - + + Ref HH37.2 Group Mills_D C6D6 /w THF sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 15:56:32 20260506-1549-B400_B.11-44 10 H1_Day g36620hh + + - + + + + Ref HH37.2 Group Mills_D C6D6 /w THF sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 15:54:43 20260506-1547-B400_B.11-43 11 P31_CPD_Day j26946hi - + - - - + + Ref AT-HI-1-54 Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
43 15:50:22 20260506-1547-B400_B.11-43 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-54 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 15:48:28 20260506-1536-B400_B.11-42 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-407 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
42 15:43:19 20260506-1536-B400_B.11-42 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-407 Group Larrosa_I
41 15:37:57 20260506-1535-B400_B.11-41 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-4me Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
40 15:33:10 20260506-1529-B400_B.11-40 10 H1_Day16 k48162ck + + - + + + + Ref 3,5-ditbu-pyra-oet-recrystal Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 15:29:04 20260506-1519-B400_B.11-39 10 H1_Day x06125gb + + - + + + + Ref GCGB2-Hex Group Crisenza_G
38 15:24:16 20260506-1517-B400_B.11-38 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-814-(b)-col Group Greaney_M
37 15:18:44 20260506-1501-B400_B.11-37 10 H1_Day16 p13528bg + + - + + + + Ref BG-019a) DCM:MeOH silpad Group De bo_G
36 15:13:17 20260506-1454-B400_B.11-36 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1674 Column Fractions 12-20 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 15:07:51 20260506-1454-B400_B.11-35 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1674 Column Fractions 3-8 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 15:02:25 20260506-1453-B400_B.11-34 10 H1_Day z86427mk + + - + + + + Ref MK-330-A C2 F14 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 14:57:05 20260506-1445-B400_B.11-33 10 H1_Day z86427mk + + - + + + + Ref MK-330-C F10 Group Procter_D
32 14:43:22 20260506-1441-B400_B.11-32 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 427 Group Procter_D
31 14:38:33 20260506-1429-B400_B.11-31 10 H1_Day h68355ac + + - + + + + Ref djp-oc-ss-3-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 14:33:45 20260506-1350-B400_B.11-30 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-38 F26 Group Riddell_I
29 14:29:17 20260506-1350-B400_B.11-29 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-38 F16 Group Riddell_I
26 14:24:20 20260506-1349-B400_B.11-26 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-38 F6 Group Riddell_I
25 14:22:16 20260506-1332-B400_B.11-25 1560302 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1560301 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 3 h 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
25 14:17:21 20260506-1332-B400_B.11-25 1560301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560301 Group Abbenseth_J SiRi156 SbCyNNN IodobenzeneCF3 in THFd8 after 3 h 595nm
24 14:11:31 20260506-1307-B400_B.11-22 30 H1_Day16 p13528bg + + - + + + + Ref BG-019a) silpad 4 Group De bo_G
23 14:06:39 20260506-1307-B400_B.11-22 20 H1_Day16 p13528bg + + - + x + + Ref BG-019a) silpad 3 Group De bo_G topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
22 14:00:26 20260506-1307-B400_B.11-22 10 H1_Day16 p13528bg + + - + + + + Ref BG-019a) silpad 2 Group De bo_G
21 13:54:42 20260506-1255-B400_B.11-21 10 H1_Day f09303eg + + - + + + + Ref EG62 Group Webb_S
19 13:49:32 20260506-1154-B400_B.11-19 14 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK769_htd60_tend Group Mills_D JEK769_htd60_tend sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260506-1154-B400_B.11-19/14/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260506-1154-B400_B.11-19/14/pdata/1/peaks!
19 13:47:54 20260506-1154-B400_B.11-19 13 B11_CPD_Day m69065je - + - - - + + Ref JEK769_htd60_tend Group Mills_D JEK769_htd60_tend sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260506-1154-B400_B.11-19/13/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260506-1154-B400_B.11-19/13/pdata/1/peaks!
19 13:46:36 20260506-1154-B400_B.11-19 12 B11_NoCPD_Day m69065je - + - - - + + Ref JEK769_htd60_tend Group Mills_D JEK769_htd60_tend log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260506-1154-B400_B.11-19/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260506-1154-B400_B.11-19/12/pdata/1/peaks!
19 13:43:55 20260506-1154-B400_B.11-19 11 H1_B11CPD_Day m69065je - + - - - + + Ref JEK769_htd60_tend Group Mills_D JEK769_htd60_tend
19 13:39:35 20260506-1154-B400_B.11-19 10 H1_Day16 m69065je + + - + + + + Ref JEK769_htd60_tend Group Mills_D JEK769_htd60_tend
18 13:36:07 20260506-1154-B400_B.11-18 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-43 Group Riddell_I
17 13:34:11 20260506-1130-B400_B.11-17 11 F19_NoCPD_Day j40457bh - + - - - + + Ref bh se 26 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/j40457bh/nmr/20260506-1130-B400_B.11-17/11/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/j40457bh/nmr/20260506-1130-B400_B.11-17/11/pdata/1/peaks!
17 13:30:33 20260506-1130-B400_B.11-17 10 H1_Day j40457bh + + - + + + + Ref bh se 26 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 13:28:31 20260506-1130-B400_B.11-16 11 F19_NoCPD_Day j40457bh - + - - - + + Ref bh se 25 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
16 13:24:50 20260506-1130-B400_B.11-16 10 H1_Day j40457bh + + - + + + + Ref bh se 25 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 13:21:26 20260506-1130-B400_B.11-15 10 H1_Day j40457bh + + - + + + + Ref bh se 24 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 13:19:30 20260506-1124-B400_B.11-10 41 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-392 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
14 13:05:35 20260506-1124-B400_B.11-10 40 H1_Quant_D1_25s_Day d93111sd + + - + + + + Ref IL-SD-392 Group Larrosa_I
13 13:03:33 20260506-1124-B400_B.11-10 31 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-403 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
13 12:49:32 20260506-1124-B400_B.11-10 30 H1_Quant_D1_25s_Day d93111sd + + - + + + + Ref IL-SD-403 Group Larrosa_I
12 12:43:33 20260505-1636-B400_B.11-12 15 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-2 Group De bo_G
11 12:41:31 20260506-1124-B400_B.11-10 21 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-406 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
11 12:27:38 20260506-1124-B400_B.11-10 20 H1_Quant_D1_25s_Day d93111sd + + - + + + + Ref IL-SD-406 Group Larrosa_I
10 12:25:45 20260506-1124-B400_B.11-10 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-405 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
10 12:12:13 20260506-1124-B400_B.11-10 10 H1_Quant_D1_25s_Day d93111sd + + - + + + + Ref IL-SD-405 Group Larrosa_I
9 12:09:49 20260506-1115-B400_B.11-9 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1- 53B Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
9 11:56:31 20260506-1115-B400_B.11-9 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1- 53B Group Trowbridge_A
8 11:44:20 20260506-1115-B400_B.11-8 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-52D Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 11:31:50 20260506-1115-B400_B.11-7 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-46I Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 11:18:52 20260506-1115-B400_B.11-6 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-42G Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 10:41:33 20260506-1040-B400_B.11-5 10 H1_Day16 e02956op + + - + + + + Ref GDB-OP0484-1H_MeCNd3 Group De bo_G
4 10:30:16 20260506-1029-B400_B.11-4 10 H1_Day16 z40241jm + + - + + + + Ref DJP-JIM-8-085-1a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 10:17:19 20260506-1009-B400_B.11-57 11 C13_CPD_Day mbdxjsl5 - + - - - + + Ref SJL763 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 10:14:03 20260506-1009-B400_B.11-57 10 H1_Day mbdxjsl5 + + - + + + + Ref SJL763 Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 10:08:10 20260506-1002-B400_B.11-55 10 H1_Day16 p13528bg + + - + + + + Ref BG-019a) 16h post extraction Group De bo_G
53 10:02:21 20260505-1803-B400_B.11-53 1560201 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560201 Group Abbenseth_J SiRi156 SbCyNNN in THFd8 IodobenzeneCF3 added
3 09:55:40 20260506-0954-B400_B.11-3 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1089-bc Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 09:45:39 20260505-1805-B400_B.11-54 1550401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1550401 Group Abbenseth_J SiRi155 SbCyNNN NaBArF IodobenzeneCF3 in Acetonitrile after 5days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
53 09:40:39 20260505-1803-B400_B.11-53 1560101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1560101 Group Abbenseth_J SiRi156 SbCyNNN in THFd8
6 09:39:13 20260506-0929-B400_B.11-6 2370132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-37 Group Abbenseth_J JA-SiS-II-37 P(NNN) HNEt2 Sart: 9:15 AM - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 09:36:50 20260506-0929-B400_B.11-6 2370131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-37 Group Abbenseth_J JA-SiS-II-37 P(NNN) HNEt2 Sart: 9:15 AM - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 09:32:03 20260506-0929-B400_B.11-6 2370101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-37 Group Abbenseth_J JA-SiS-II-37 P(NNN) HNEt2 Sart: 9:15 AM - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:28:20 20260506-0905-B400_B.11-5 11 F19_NoCPD_Day mbdxkrn2 - + - - - + + Ref GDB-RN1670 Column Fractions 6-17 - Acetone-d6 Group De bo_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
5 09:23:32 20260506-0905-B400_B.11-5 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1670 Column Fractions 6-17 - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:20:17 20260506-0904-B400_B.11-3 20 H1_Day x06125gb + + - + + + + Ref GCGB447Cr Group Crisenza_G
3 09:15:58 20260506-0904-B400_B.11-3 10 H1_Day x06125gb + + - + + + + Ref GCGB423Cr Group Crisenza_G
1 09:00:00 20260505-1014-B400_B.11-1 10 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
9 08:56:10 20260506-0855-B400_B.11-9 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-36G.2 Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 07:41:02 20260506-0740-B400_B.11-55 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN1672-1 THF-washed solid - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:29:59 20260506-0242-B400_B.11-6 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-637-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 03:23:07 20260506-0242-B400_B.11-6 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-638-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:08:50 20260506-0242-B400_B.11-6 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-637-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 03:04:06 20260506-0242-B400_B.11-6 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-637-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 02:49:10 20260506-0242-B400_B.11-6 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-638-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 02:44:17 20260506-0242-B400_B.11-6 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-638-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 20:13:29 20260505-2012-B400_B.11-3 10 H1_Day z92209cg + + - + + + + Ref ALF127 fuelled 5 min Group Leigh_D ALF127 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 19:46:00 20260505-1805-B400_B.11-54 1530302 B11_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1530301 Group Abbenseth_J SiRi153 finsiohed ligand BH4 in benzene MeOH after extraction with Et2O log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260505-1805-B400_B.11-54/1530302/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260505-1805-B400_B.11-54/1530302/pdata/1/peaks!
54 19:40:41 20260505-1805-B400_B.11-54 1530301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1530301 Group Abbenseth_J SiRi153 finsiohed ligand BH4 in benzene MeOH after extraction with Et2O
53 19:35:08 20260505-1803-B400_B.11-53 1530302 B11_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1530302 Group Abbenseth_J SiRi153 finished ligand BH4 in benzene MeOH check for B log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260505-1803-B400_B.11-53/1530302/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260505-1803-B400_B.11-53/1530302/pdata/1/peaks!
17 19:32:02 20260505-1741-B400_B.11-17 10 H1_Day n04147ed + + - + + + + Ref ED-03-062-t8 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 19:28:17 20260505-1741-B400_B.11-16 10 H1_Day n04147ed + + - + + + + Ref ED-03-062-t7 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 19:27:41 20260505-1730-B400_B.11-27 10 H1_Day16 f11141tm - - - - - - - Ref mfm-600 Group Yang_S
13 19:23:10 20260505-1917-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref ALF127 prefuel Group Leigh_D ALF127 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 19:22:24 20260505-1636-B400_B.11-12 13 Li7_CPD_Night g36620hh - - - - - - - Ref HH37.1 Group Mills_D
12 19:16:47 20260505-1636-B400_B.11-12 12 Si29_DEPT90_Day g36620hh - + - - - + + Ref HH37.1 Group Mills_D sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260505-1636-B400_B.11-12/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/g36620hh/nmr/20260505-1636-B400_B.11-12/12/pdata/1/peaks!
12 18:49:24 20260505-1636-B400_B.11-12 11 C13_DEPTQ_Night g36620hh - + - - - + + Ref HH37.1 Group Mills_D
12 18:44:55 20260505-1636-B400_B.11-12 10 H1_Night g36620hh + + - + + + + Ref HH37.1 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 18:43:04 20260505-1459-B400_B.11-50 12 F19_NoCPD_Day j40457bh - + - - - + + Ref bh se 21 c1 Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
50 17:45:35 20260505-1459-B400_B.11-50 11 C13_CPD_Night1024 j40457bh + + - + + + + Ref bh se 21 c1 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 17:30:46 20260505-1647-B400_B.11-14 10 H1_Night128 mbdxkrn2 + + - + + + + Ref GDB-RN1672-1 After 2nd Et2O precipitation - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 17:26:21 20260505-1639-B400_B.11-13 10 H1_Day z92209cg + + - + + + + Ref AL126 prefuel pH7.0 Group Leigh_D AL126 prefuel buffer in pH7.0 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 17:12:58 20260505-1616-B400_B.11-11 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-124 Group Greaney_M
10 16:59:18 20260505-1616-B400_B.11-10 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-123 Group Greaney_M
9 16:55:28 20260505-1635-B400_B.11-9 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-36G Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 16:49:07 20260505-1632-B400_B.11-8 10 H1_Day16 z92209cg + + - + + + + Ref sl-9102-6.5 h Group Leigh_D
7 16:35:47 20260505-1616-B400_B.11-7 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-122 Group Greaney_M
6 16:22:43 20260505-1615-B400_B.11-6 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-121 Group Greaney_M
5 16:16:17 20260505-1603-B400_B.11-3 30 H1_Day16 p13528bg + + - + + + + Ref BG-018 silpad 3 Group De bo_G
4 16:10:51 20260505-1603-B400_B.11-3 20 H1_Day16 p13528bg + + - + + + + Ref BG-018 silpad 2 Group De bo_G
3 16:04:46 20260505-1603-B400_B.11-3 10 H1_Day16 p13528bg + + - + + + + Ref BG-018 silpad 1 Group De bo_G
2 16:03:04 20260505-1318-B400_B.11-2 10 H1_Day a53046hl - - - - - - - Ref mc088-sn2R-40-1h Group Leigh_D
52 15:58:13 20260505-1556-B400_B.11-52 10 H1_Day z92209cg + + - + + + + Ref ALF126 prefuel S-DMAPNO in Group Leigh_D ALF126 prefuel S-DMAPNO in sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 15:53:48 20260505-1459-B400_B.11-51 10 H1_Day j40457bh + + - + + + + Ref bh se 22 d Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 15:49:18 20260505-1459-B400_B.11-50 10 H1_Day j40457bh + + - + + + + Ref bh se 21 c1 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 15:44:51 20260505-1530-B400_B.11-48 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 3 days sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 15:41:16 20260505-1530-B400_B.11-48 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 + top up + 3 days
47 15:36:43 20260505-1514-B400_B.11-47 10 H1_Day z92209cg + + - + + + + Ref ALF126 prefuel d2o in Group Leigh_D ALF126 prefuel d2o in sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 15:33:00 20260505-1458-B400_B.11-46 10 H1_Day j40457bh + + - + + + + Ref bh se 22 c Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 15:29:11 20260505-1458-B400_B.11-45 10 H1_Day j40457bh + + - + + + + Ref bh se 22 b Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 15:24:39 20260505-1458-B400_B.11-44 10 H1_Day j40457bh + + - + + + + Ref bh se 22 a Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 15:21:17 20260505-1457-B400_B.11-43 10 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buf70-2eqcage Group Leigh_D
42 15:12:47 20260505-1456-B400_B.11-42 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1672-1 Et2O-washed precipitate - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 15:07:41 20260505-1456-B400_B.11-41 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1667 Column Main Band - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 15:02:10 20260505-1455-B400_B.11-40 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1673 EtOAc-washed crude solid - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 14:56:18 20260505-1451-B400_B.11-39 10 H1_Day16 z92209cg + + - + + + + Ref sl-9102-5 h Group Leigh_D
38 14:52:27 20260505-1440-B400_B.11-38 10 H1_Day n04147ed + + - + + + + Ref ED-03-062-t5 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 14:50:22 20260505-1406-B400_B.11-37 1540502 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1540501 Group Abbenseth_J SiRi15 SbCyNNN IodobenzeneCF3 no BArF in THF 595 for 4 days vacuo in C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
37 14:47:18 20260505-1406-B400_B.11-37 1540501 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1540501 Group Abbenseth_J SiRi15 SbCyNNN IodobenzeneCF3 no BArF in THF 595 for 4 days vacuo in C6D6 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 14:45:05 20260505-1405-B400_B.11-36 1510502 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1510501 Group Abbenseth_J SiRi151 SbCyNNN NaBPh4 IodobenzeneCF3 in THF after 4 days of 595 vacuo in C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
36 14:42:01 20260505-1405-B400_B.11-36 1510501 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1510501 Group Abbenseth_J SiRi151 SbCyNNN NaBPh4 IodobenzeneCF3 in THF after 4 days of 595 vacuo in C6D6
35 14:39:48 20260505-1403-B400_B.11-35 1460902 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1460901 Group Abbenseth_J SiRi146 SbCyNNN NaBArF IodobenzeneCF3 in THF after 1 week of 595 vacuo in C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
35 14:36:16 20260505-1403-B400_B.11-35 1460901 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1460901 Group Abbenseth_J SiRi146 SbCyNNN NaBArF IodobenzeneCF3 in THF after 1 week of 595 vacuo in C6D6 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 14:31:39 20260505-1357-B400_B.11-34 10 H1_Day z92209cg + + - + + + + Ref ALF126 prefuel M2PdCl2 in Group Leigh_D ALF126 M2PdCl2 in sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 14:28:28 20260505-1357-B400_B.11-33 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 48h Group Leigh_D ALF124 fuelled 48h
32 14:25:06 20260505-1356-B400_B.11-32 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 48h Group Leigh_D ALF122 fuelled 48h
31 14:19:21 20260505-1353-B400_B.11-31 10 H1_Day16 n29715ss + + - + + + + Ref DJP-SS-alkenestyrene Group Procter_D
30 14:16:07 20260505-1351-B400_B.11-30 10 H1_Day z92209cg + + - + + + + Ref GC-SM3-C12-Acetone Group Leigh_D
29 14:12:56 20260505-1351-B400_B.11-29 10 H1_Day z92209cg + + - + + + + Ref GC-SM3-C6-Acetone Group Leigh_D
28 14:08:55 20260505-1351-B400_B.11-28 10 H1_Day z92209cg + + - + + + + Ref GC-SP-C8-Acetone Group Leigh_D
27 14:05:22 20260505-1350-B400_B.11-27 10 H1_Day z92209cg + + - + + + + Ref Z-G-OH Group Leigh_D
26 13:59:13 20260505-1344-B400_B.11-26 10 H1_Day16 z92209cg + + - + + + + Ref sl-9102-4 h Group Leigh_D
25 13:55:51 20260505-1338-B400_B.11-25 10 H1_Day n04147ed + + - + + + + Ref ED-03-062-t4 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:53:15 20260505-1330-B400_B.11-24 11 C13_CPD_Day e02956op - + - - - + + Ref GDB-OP0484-13C_CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:48:41 20260505-1330-B400_B.11-24 10 H1_Day16 e02956op + + - + + + + Ref GDB-OP0484-1H_CDCl3 Group De bo_G
23 13:45:39 20260505-0959-B400_B.11-23 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-139-PCl-THF-Fil Group Coram_M sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260505-0959-B400_B.11-23/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260505-0959-B400_B.11-23/12/pdata/1/peaks!
23 13:44:18 20260505-0959-B400_B.11-23 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-139-PCl-THF-Fil Group Coram_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260505-0959-B400_B.11-23/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260505-0959-B400_B.11-23/11/pdata/1/peaks!
23 13:38:35 20260505-0959-B400_B.11-23 10 H1_Day q50682hk + + - + + + + Ref HK-139-PCl-THF-Fil Group Coram_M
22 13:34:35 20260505-0955-B400_B.11-22 10 B11_CPD_Day g91782bg + + - + + + + Ref akbg-56-b Group Keerthi_A sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Keerthi_A/data/g91782bg/nmr/20260505-0955-B400_B.11-22/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Keerthi_A/data/g91782bg/nmr/20260505-0955-B400_B.11-22/10/pdata/1/peaks!
21 13:29:43 20260505-1319-B400_B.11-21 10 H1_Day a53046hl + + - + + + + Ref mc088sn2r-40-1h Group Leigh_D
20 13:24:46 20260505-0953-B400_B.11-20 10 B11_CPD_Day g91782bg + + - + x + + Ref akbg-56-c Group Keerthi_A topshim: TopshimFieldMap - signal-to-noise is too low: signal loss for long echo time, Shim failed, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Keerthi_A/data/g91782bg/nmr/20260505-0953-B400_B.11-20/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Keerthi_A/data/g91782bg/nmr/20260505-0953-B400_B.11-20/10/pdata/1/peaks!
19 13:23:20 20260505-0921-B400_B.11-19 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(iPr)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 13:19:43 20260505-0921-B400_B.11-19 11 P31_CPD_Day z89001ep + + - + + + + Ref YbI2_BIPP(iPr)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 10:04:44 20260505-0921-B400_B.11-19 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(iPr)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done, Automation was stopped by user
18 10:03:15 20260505-0921-B400_B.11-18 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Mes)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 10:01:06 20260505-0921-B400_B.11-18 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Mes)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 09:56:46 20260505-0921-B400_B.11-18 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(Mes)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 09:55:18 20260505-0920-B400_B.11-17 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Ph)_V3_EP Group Mills_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260505-0920-B400_B.11-17/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mills_D/data/z89001ep/nmr/20260505-0920-B400_B.11-17/12/pdata/1/peaks!
17 09:53:34 20260505-0920-B400_B.11-17 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Ph)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 09:48:37 20260505-0920-B400_B.11-17 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(Ph)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:47:11 20260505-0919-B400_B.11-5 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:45:26 20260505-0919-B400_B.11-5 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:40:18 20260505-0919-B400_B.11-5 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(iPr)_2eq_V3_EP Group Mills_D
4 09:38:52 20260505-0919-B400_B.11-4 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:37:08 20260505-0919-B400_B.11-4 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:31:59 20260505-0919-B400_B.11-4 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Mes)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:29:56 20260505-0918-B400_B.11-3 12 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:28:16 20260505-0918-B400_B.11-3 11 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:23:26 20260505-0918-B400_B.11-3 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Ph)_2eq_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:21:19 20260505-0916-B400_B.11-2 11 C13_CPD_Day c62220rg - + - - - + + Ref at-rg-6-4br p3 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:16:56 20260505-0916-B400_B.11-2 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-4br p3 Group Trowbridge_A
1 09:09:30 20260505-0908-B400_B.11-1 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-401-2 Group Larrosa_I
5 08:52:59 20260505-0824-B400_B.11-5 1171301 H1_Day w05220ss + + - + x + + Ref Ja-SiRi-I-1171301 Group Abbenseth_J SiRi117 SbCyNNN in DCM decomposition after weeks and 1 week 595nm topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range TopshimWaitForEvent - lock system status ready : timeout after 300 sec TopshimWaitForEvent - locked in : timeout after 60 sec TopshimAutoLock - could not lock in successfully, Shim failed, Lock anomaly during acquisition
4 08:49:09 20260505-0822-B400_B.11-4 1500401 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1500401 Group Abbenseth_J SiRi151 SbMesNNN NaBArF IodobenzeneCF3 in THF after l4 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 08:40:54 20260505-0835-B400_B.11-8 11 C13_CPD_Day mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S200 Group Goodwin_C C6D6 Check sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 08:36:33 20260505-0835-B400_B.11-8 10 H1_Day16 mbdxkbr5 + + - + + + + Ref BLLR-CAPG-S200 Group Goodwin_C C6D6 Check sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 08:32:54 20260505-0826-B400_B.11-6 1550301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1550301 Group Abbenseth_J SiRi155 SbCyNNN NaBArF IodobenzeneCF3 in Acetonitrile after l4 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
5 08:29:17 20260505-0824-B400_B.11-5 1540301 F19_NoCPD_Day w05220ss + + - + + + + Ref Ja-SiRi-I-1540301 Group Abbenseth_J SiRi154 SbCyNNN IodobenzeneCF3 no BArF in THF after 4 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
4 08:24:53 20260505-0822-B400_B.11-4 1510301 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1510301 Group Abbenseth_J SiRi151 SbCyNNN NaBPh4 IodobenzeneCF3 in THF after l4 days 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
26 19:57:03 20260504-1848-B400_B.11-26 10 H1_Day z16689fe + + - + + + + Ref DJP FE Et3N test Group Procter_D
27 19:51:33 20260504-1901-B400_B.11-27 10 H1_Night a53046hl + + - + + + + Ref QBB-G56-catalyst Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 18:57:48 20260504-1841-B400_B.11-24 11 C13_CPD_Night1024 v73981ac - + - - - + + Ref ILAC205B-p2-F1 Group Larrosa_I
24 18:52:22 20260504-1841-B400_B.11-24 10 H1_Day16 v73981ac + + - + + + + Ref ILAC205B-p2-F1 Group Larrosa_I
23 18:48:52 20260504-1840-B400_B.11-22 20 H1_Day v73981ac + + - + + + + Ref ILAC205B-p2-F3 Group Larrosa_I
22 18:43:56 20260504-1840-B400_B.11-22 10 H1_Day v73981ac + + - + + + + Ref ILAC205B-p2-F2 Group Larrosa_I
20 18:40:52 20260504-1814-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 28h Group Leigh_D ALF125 fuelled 28h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 18:37:43 20260504-1813-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 28h Group Leigh_D ALF124 fuelled 28h
18 18:34:32 20260504-1813-B400_B.11-18 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 28h Group Leigh_D ALF123 fuelled 28h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 18:30:52 20260504-1812-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 28h Group Leigh_D ALF122 fuelled 28h
4 18:16:36 20260504-1642-B400_B.11-1 41 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-636-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 18:12:11 20260504-1642-B400_B.11-1 40 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-636-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 17:57:55 20260504-1642-B400_B.11-1 31 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-636-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 17:52:30 20260504-1642-B400_B.11-1 30 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-636-3 Group Procter_D
2 17:38:14 20260504-1642-B400_B.11-1 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-636-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 17:32:41 20260504-1642-B400_B.11-1 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-636-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 17:18:26 20260504-1642-B400_B.11-1 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-636-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 17:13:18 20260504-1642-B400_B.11-1 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-636-1 Group Procter_D
4 17:06:33 20260504-1642-B400_B.11-1 42 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-636-4 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 16:59:42 20260504-1642-B400_B.11-1 32 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-636-3 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 16:52:48 20260504-1642-B400_B.11-1 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-636-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 16:45:38 20260504-1642-B400_B.11-1 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-636-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 15:52:17 20260504-1551-B400_B.11-4 10 H1_Day z16689fe + + - + + + + Ref DJP FE t-BuOH test Group Procter_D
4 15:08:22 20260504-1507-B400_B.11-4 10 H1_Day z16689fe + + - + + + + Ref DJP FE MeOH test Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 15:02:51 20260504-1457-B400_B.11-3 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-402 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
3 14:58:12 20260504-1457-B400_B.11-3 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-402 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 14:34:21 20260504-1433-B400_B.11-11 10 H1_Day a53046hl + + - + + + + Ref QBB-G52-F12 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:28:25 20260504-0918-B400_B.11-2 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-phnhnh2 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:26:18 20260504-0917-B400_B.11-1 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-401 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1 09:19:55 20260504-0917-B400_B.11-1 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-401 Group Larrosa_I
26 03:26:35 20260504-0133-B400_B.11-26 12 C13_CPD_Night1024 m09677nb + + - + + + + Ref cf3 cho 1st Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 02:30:36 20260504-0133-B400_B.11-26 22 C13_CPD_Night1024 m09677nb + + - + + + + Ref cf3 cho 2nd Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 01:56:56 20260504-0133-B400_B.11-26 21 F19_NoCPD_Day m09677nb + + - + + + + Ref cf3 cho 2nd Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26 01:51:46 20260504-0133-B400_B.11-26 11 F19_NoCPD_Day m09677nb + + - + + + + Ref cf3 cho 1st Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27 01:47:15 20260504-0133-B400_B.11-26 20 H1_Night m09677nb + + - + + + + Ref cf3 cho 2nd Group Greaney_M
26 01:41:54 20260504-0133-B400_B.11-26 10 H1_Night m09677nb + + - + + + + Ref cf3 cho 1st Group Greaney_M
20 01:38:44 20260503-2333-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 11h Group Leigh_D ALF125 fuelled 11h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 01:35:33 20260503-2332-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 11h Group Leigh_D ALF124 fuelled 11h
18 01:32:22 20260503-2332-B400_B.11-18 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 11h Group Leigh_D ALF123 fuelled 11h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 01:28:57 20260503-2330-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 11h Group Leigh_D ALF122 fuelled 11h
24 01:14:04 20260503-2357-B400_B.11-22 32 H1_Night128 m09677nb + + - + + + + Ref 4tbu cf3 3rd Group Greaney_M
23 00:59:07 20260503-2357-B400_B.11-22 22 H1_Night128 m09677nb + + - + + + + Ref 4tbu cf3 2nd Group Greaney_M
22 00:43:50 20260503-2357-B400_B.11-22 12 H1_Night128 m09677nb + + - + + + + Ref 4tbu cf3 1st Group Greaney_M
24 00:17:28 20260503-2357-B400_B.11-22 31 F19_NoCPD_Day m09677nb - + - - - + + Ref 4tbu cf3 3rd Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
24 00:12:28 20260503-2357-B400_B.11-22 30 H1_Day m09677nb + + - + + + + Ref 4tbu cf3 3rd Group Greaney_M
23 00:10:24 20260503-2357-B400_B.11-22 21 F19_NoCPD_Day m09677nb - + - - - + + Ref 4tbu cf3 2nd Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23 00:06:29 20260503-2357-B400_B.11-22 20 H1_Day m09677nb + + - + + + + Ref 4tbu cf3 2nd Group Greaney_M
22 00:04:30 20260503-2357-B400_B.11-22 11 F19_NoCPD_Day m09677nb - + - - - + + Ref 4tbu cf3 1st Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
22 23:59:20 20260503-2357-B400_B.11-22 10 H1_Day m09677nb + + - + + + + Ref 4tbu cf3 1st Group Greaney_M
20 23:44:55 20260503-2333-B400_B.11-20 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 9h Group Leigh_D ALF125 fuelled 9h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 23:41:44 20260503-2332-B400_B.11-19 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 9h Group Leigh_D ALF124 fuelled 9h
18 23:38:34 20260503-2332-B400_B.11-18 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 9h Group Leigh_D ALF123 fuelled 9h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 23:35:24 20260503-2330-B400_B.11-17 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 9h Group Leigh_D ALF122 fuelled 9h
11 23:08:39 20260503-2307-B400_B.11-11 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-4CH2carbamateisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 22:14:00 20260503-2035-B400_B.11-12 10 H1_Quant_D1_25s_Day v73981ac + + - + + + + Ref ILAC205B-p2 Group Larrosa_I
10 22:08:59 20260503-2156-B400_B.11-10 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-4NHCBz Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 22:03:59 20260503-2156-B400_B.11-9 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-4NMeAcstyr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 21:57:31 20260503-2155-B400_B.11-8 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-4Co2Mesty Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 21:54:14 20260503-1353-B400_B.11-6 11 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 55h Group Leigh_D ALF120 fuelled 55h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 21:50:45 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 7h30 Group Leigh_D ALF125 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 21:47:06 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 7h30 Group Leigh_D ALF124 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 21:43:57 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 7h30 Group Leigh_D ALF123 fuelled 7h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 21:40:28 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 7h30 Group Leigh_D ALF122 fuelled 7h30
17 20:42:33 20260503-1604-B400_B.11-14 42 C13_CPD_Night1024 m09677nb + + - + + + + Ref diph cf3 3rd Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 20:34:30 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 6h Group Leigh_D ALF125 fuelled 6h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 20:30:53 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 6h Group Leigh_D ALF124 fuelled 6h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 20:27:40 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 6h Group Leigh_D ALF123 fuelled 6h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 20:24:34 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 6h Group Leigh_D ALF122 fuelled 6h
11 19:36:17 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 5h Group Leigh_D ALF125 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 19:32:37 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 5h Group Leigh_D ALF124 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 19:29:26 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 5h Group Leigh_D ALF123 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 19:25:57 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 5h Group Leigh_D ALF122 fuelled 5h
12 18:43:24 20260503-1831-B400_B.11-12 12 C13_CPD_Day d93111sd - + - - - + + Ref IL-SD-183m2 Group Larrosa_I
12 18:41:25 20260503-1831-B400_B.11-12 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-183m2 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
12 18:37:50 20260503-1831-B400_B.11-12 10 H1_Day d93111sd + + - + + + + Ref IL-SD-183m2 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 18:34:21 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 4h Group Leigh_D ALF125 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 18:30:29 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 4h Group Leigh_D ALF124 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 18:27:18 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 4h Group Leigh_D ALF123 fuelled 4h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 18:24:09 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 4h Group Leigh_D ALF122 fuelled 4h
11 17:35:37 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 3h Group Leigh_D ALF125 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 17:32:00 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 3h Group Leigh_D ALF124 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 17:28:50 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 3h Group Leigh_D ALF123 fuelled 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 17:25:39 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 3h Group Leigh_D ALF122 fuelled 3h
17 16:45:20 20260503-1604-B400_B.11-14 41 F19_NoCPD_Day m09677nb - + - - - + + Ref diph cf3 3rd Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Greaney_M/data/m09677nb/nmr/20260503-1604-B400_B.11-14/41/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Greaney_M/data/m09677nb/nmr/20260503-1604-B400_B.11-14/41/pdata/1/peaks!
17 16:39:44 20260503-1604-B400_B.11-14 40 H1_Day m09677nb + + - + + + + Ref diph cf3 3rd Group Greaney_M
11 16:36:14 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 2h Group Leigh_D ALF125 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 16:32:37 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 2h Group Leigh_D ALF124 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 16:29:27 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 2h Group Leigh_D ALF123 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 16:26:16 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 2h Group Leigh_D ALF122 fuelled 2h
16 16:17:51 20260503-1604-B400_B.11-14 30 H1_Day m09677nb - - - - - - - Ref diph cf3 3rd Group Greaney_M
15 16:15:47 20260503-1605-B400_B.11-15 11 F19_NoCPD_Day m09677nb - + - - - + + Ref diph cf3 2nd Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
15 16:11:45 20260503-1605-B400_B.11-15 10 H1_Day m09677nb + + - + + + + Ref diph cf3 2nd Group Greaney_M
14 16:09:42 20260503-1604-B400_B.11-14 11 F19_NoCPD_Day m09677nb - + - - - + + Ref diph cf3 1st Group Greaney_M log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
14 16:05:15 20260503-1604-B400_B.11-14 10 H1_Day m09677nb + + - + + + + Ref diph cf3 1st Group Greaney_M
11 15:57:27 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 1h30 Group Leigh_D ALF125 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:53:34 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 1h30 Group Leigh_D ALF124 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:50:21 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 1h30 Group Leigh_D ALF123 fuelled 1h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:47:07 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 1h30 Group Leigh_D ALF122 fuelled 1h30
11 15:34:34 20260503-1354-B400_B.11-11 10 H1_Day z92209cg + + - + + + + Ref ALF125 fuelled 1h Group Leigh_D ALF125 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:30:56 20260503-1354-B400_B.11-10 10 H1_Day z92209cg + + - + + + + Ref ALF124 fuelled 1h Group Leigh_D ALF124 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 15:27:48 20260503-1354-B400_B.11-9 10 H1_Day z92209cg + + - + + + + Ref ALF123 fuelled 1h Group Leigh_D ALF123 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 15:24:12 20260503-1353-B400_B.11-8 10 H1_Day z92209cg + + - + + + + Ref ALF122 fuelled 1h Group Leigh_D ALF122 fuelled 1h
23 15:15:57 20260503-1429-B400_B.11-22 20 H1_Quant_Night v73981ac + + - + + + + Ref ILAC205B Group Larrosa_I pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1429-B400_B.11-22/20/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1429-B400_B.11-22/20/pdata/1/peaks!
22 15:07:28 20260503-1429-B400_B.11-22 10 H1_Quant_Night v73981ac + + - + + + + Ref ILAC205A Group Larrosa_I pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1429-B400_B.11-22/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1429-B400_B.11-22/10/pdata/1/peaks!
20 14:10:48 20260503-1410-B400_B.11-20 10 C13_CPD_Night1024 e72206ov + + - + + + + Ref ov-018-b full 1024 carbon scan Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 14:02:32 20260503-1358-B400_B.11-12 10 H1_Day z92209cg + + - + + + + Ref ALF121 fuelled 45h Group Leigh_D ALF121 fuelled 45h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:01:18 20260503-1353-B400_B.11-6 11 H1_Day z92209cg - + - - - + + Ref ALF120 fuelled 47h Group Leigh_D ALF120 fuelled 47h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 13:58:09 20260503-1353-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 35h Group Leigh_D ALF120 fuelled 35h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:57:27 20260503-1354-B400_B.11-11 10 H1_Day z92209cg - - - - - - - Ref ALF125 fuelled 5 min Group Leigh_D ALF125 fuelled 5 min Automation was stopped by user
5 13:53:39 20260503-1352-B400_B.11-5 10 H1_Day z92209cg + + - + + + + Ref ALF125 prefuel Group Leigh_D ALF125 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 13:18:29 20260503-1305-B400_B.11-3 20 H1_Quant_D1_25s_Day v73981ac + + - + + + + Ref ILAC205B Group Larrosa_I pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1305-B400_B.11-3/20/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1305-B400_B.11-3/20/pdata/1/peaks!
3 13:06:35 20260503-1305-B400_B.11-3 10 H1_Quant_D1_25s_Day v73981ac + + - + + + + Ref ILAC205A Group Larrosa_I pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1305-B400_B.11-3/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260503-1305-B400_B.11-3/10/pdata/1/peaks!
2 12:38:22 20260503-1223-B400_B.11-1 21 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-398afterextraction Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2 12:32:25 20260503-1223-B400_B.11-1 20 H1_Day16 d93111sd + + - + + + + Ref IL-SD-398afterextraction Group Larrosa_I
1 12:30:12 20260503-1223-B400_B.11-1 11 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-400 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
1 12:25:22 20260503-1223-B400_B.11-1 10 H1_Day16 d93111sd + + - + + + + Ref IL-SD-400 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 23:56:17 20260502-2308-B400_B.11-39 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-633-1+2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 23:49:06 20260502-2308-B400_B.11-39 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-633-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 23:34:50 20260502-2308-B400_B.11-39 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-633-1+2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 23:30:26 20260502-2308-B400_B.11-39 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-633-1+2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 23:16:10 20260502-2308-B400_B.11-39 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-633-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 23:10:26 20260502-2308-B400_B.11-39 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-633-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 22:46:44 20260501-1713-B400_B.11-39 10 H1_Day z92209cg + + - + + + + Ref ALF121 fuelled 27h Group Leigh_D ALF121 fuelled 27h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 22:42:59 20260501-1711-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 29h Group Leigh_D ALF120 fuelled 29h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 21:30:33 20260502-2130-B400_B.11-33 10 H1_Day16 r25963ar + + - + + + + Ref N2Br2 Group Romanov_A N2Br2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 17:58:52 20260502-1712-B400_B.11-26 22 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-633-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:52:06 20260502-1712-B400_B.11-26 12 C13_DEPT135_Day a74776dr + + - + + + + Ref DJP-DR-2-632-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 17:37:51 20260502-1712-B400_B.11-26 21 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-633-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 17:33:28 20260502-1712-B400_B.11-26 20 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-633-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:19:12 20260502-1712-B400_B.11-26 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-2-632-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:14:48 20260502-1712-B400_B.11-26 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-632-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 16:39:39 20260502-1510-B400_B.11-24 14 H1_C13_HMBC_Night e72206ov - + - - - + + Ref ov-008-a full test in cdcl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 16:24:17 20260502-1510-B400_B.11-24 13 H1_C13_HSQC_Night e72206ov - + - - - + + Ref ov-008-a full test in cdcl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 16:10:50 20260502-1510-B400_B.11-24 12 H1_COSY_HiRes_Night e72206ov - + - - - + + Ref ov-008-a full test in cdcl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 15:17:04 20260502-1510-B400_B.11-24 11 C13_CPD_Night1024 e72206ov - + - - - + + Ref ov-008-a full test in cdcl3 Group De bo_G
24 15:11:07 20260502-1510-B400_B.11-24 10 H1_Night e72206ov + + - + + + + Ref ov-008-a full test in cdcl3 Group De bo_G
55 05:16:44 20260501-1729-B400_B.11-55 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1671 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 05:01:23 20260501-1729-B400_B.11-55 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1671 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 04:26:13 20260501-1729-B400_B.11-55 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1671 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 04:24:00 20260501-1729-B400_B.11-55 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1671 Full Char - CDCl3 Group De bo_G
55 03:27:23 20260501-1729-B400_B.11-55 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1671 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 03:00:04 20260501-1622-B400_B.11-54 13 C13_DEPTQ_Night v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 24 hrs + top up + 1 hr sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 01:31:41 20260501-1622-B400_B.11-54 12 H1_Night1024 v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 24 hrs + top up + 1 hr
51 01:18:09 20260501-1614-B400_B.11-51 14 H1_COSY_HiRes_Night mbdxkrn2 - + - - - + + Ref GDB-RN1667 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 01:02:47 20260501-1614-B400_B.11-51 13 H1_C13_HSQC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1667 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 00:27:38 20260501-1614-B400_B.11-51 12 H1_C13_HMBC_Night mbdxkrn2 - + - - - + + Ref GDB-RN1667 Full Char - CDCl3 Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
51 00:25:25 20260501-1614-B400_B.11-51 11 H1_Night mbdxkrn2 - + - - - + + Ref GDB-RN1667 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 23:27:57 20260501-1614-B400_B.11-51 10 C13_CPD_Night1024 mbdxkrn2 + + - + + + + Ref GDB-RN1667 Full Char - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 22:30:09 20260501-1607-B400_B.11-18 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-816-col-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 21:32:43 20260501-1606-B400_B.11-50 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-798-col Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 20:55:10 20260501-1559-B400_B.11-34 15 H1_C13_HMBC_Night w16692pj + + - + + + + Ref La2Nac2Tol_C6D6_200h Group Winpenny_R mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 20:20:01 20260501-0843-B400_B.11-24 14 H1_C13_HMBC_Night e72206ov - + - - - + + Ref ov-012-b DMSO full test Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 20:02:24 20260501-0843-B400_B.11-24 13 H1_C13_HSQC_Night e72206ov + + - + + + + Ref ov-012-b DMSO full test Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 19:59:20 20260501-1713-B400_B.11-39 10 H1_Day z92209cg + + - + + + + Ref ALF121 fuelled 3h30 Group Leigh_D ALF121 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 19:56:11 20260501-1711-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 5h Group Leigh_D ALF120 fuelled 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 19:52:52 20260501-1946-B400_B.11-28 10 H1_Day z92209cg + + - + + + + Ref ALF124 prefuel Group Leigh_D ALF124 prefuel
27 19:49:29 20260501-1944-B400_B.11-27 10 H1_Day z92209cg + + - + + + + Ref ALF123 prefuel Group Leigh_D ALF123 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 19:45:59 20260501-1943-B400_B.11-26 10 H1_Day z92209cg + + - + + + + Ref ALF122 prefuel Group Leigh_D ALF122 prefuel
24 19:32:32 20260501-0843-B400_B.11-24 12 H1_COSY_HiRes_Night e72206ov - + - - - + + Ref ov-012-b DMSO full test Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 18:36:21 20260501-0843-B400_B.11-24 11 C13_CPD_Night1024 e72206ov + + - + + + + Ref ov-012-b DMSO full test Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 18:33:15 20260501-1713-B400_B.11-39 10 H1_Day z92209cg + + - + + + + Ref ALF121 fuelled 2h Group Leigh_D ALF121 fuelled 2h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 18:29:35 20260501-1711-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 3h30 Group Leigh_D ALF120 fuelled 3h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 17:33:10 20260501-0842-B400_B.11-23 10 C13_CPD_Night1024 e72206ov + + - + + + + Ref ov-010.6-b smaller sample test for 1024 scan Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 17:30:03 20260501-1713-B400_B.11-39 10 H1_Day z92209cg + + - + + + + Ref ALF121 fuelled 45 min Group Leigh_D ALF121 fuelled 45 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 17:26:40 20260501-1711-B400_B.11-37 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 2h30 Group Leigh_D ALF120 fuelled 2h30 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 17:21:56 20260501-1707-B400_B.11-36 10 H1_Day j65215tk + + - + + + + Ref TGK-1023-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 17:18:10 20260501-1705-B400_B.11-35 10 H1_Day w61916tz + + - + + + + Ref sy-tz-20-4cooh-4bz-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:00:56 20260501-1559-B400_B.11-34 14 H1_C13_HSQC_Night w16692pj + + - + + + + Ref La2Nac2Tol_C6D6_200h Group Winpenny_R mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
35 16:55:41 20260501-1652-B400_B.11-35 10 H1_Day16 z92209cg + + - + + + + Ref sl-dissipative-2 h Group Leigh_D
34 16:53:27 20260501-1559-B400_B.11-34 13 H1_Night w16692pj - + - - - + + Ref La2Nac2Tol_C6D6_200h Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 16:47:36 20260501-1559-B400_B.11-34 12 H1_COSY_Day w16692pj - + - - - + + Ref La2Nac2Tol_C6D6_200h Group Winpenny_R mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
34 16:45:41 20260501-1559-B400_B.11-34 11 C13_CPD_Day w16692pj - + - - - + + Ref La2Nac2Tol_C6D6_200h Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 16:42:14 20260501-1559-B400_B.11-34 10 H1_Day w16692pj + + - + + + + Ref La2Nac2Tol_C6D6_200h Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 16:36:50 20260501-1628-B400_B.11-56 10 H1_Day16 mbdxkrn2 + + - + + + + Ref GDB-RN1673 Crude - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 16:33:34 20260501-1626-B400_B.11-55 10 H1_Day z92209cg + + - + + + + Ref ALF121 fuelled 5 min Group Leigh_D ALF121 fuelled 5 min sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 16:29:13 20260501-1622-B400_B.11-54 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 24 hrs + top up + 1 hr sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 16:25:57 20260501-1622-B400_B.11-54 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 24 hrs + top up + 1 hr
52 16:19:02 20260428-1340-B400_B.11-52 12 H1_Day16 z92209cg + + - + + + + Ref sl-dissipative-1.5 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 16:14:10 20260501-1606-B400_B.11-50 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-798-col Group Greaney_M
49 16:07:17 20260501-1602-B400_B.11-49 10 H1_Day16 p13528bg + + - + + + + Ref BG-017a) fullwash Group De bo_G
48 16:04:07 20260501-1545-B400_B.11-48 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled 1h Group Leigh_D ALF120 fuelled 1h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 16:00:32 20260501-1543-B400_B.11-47 10 H1_Day z92209cg + + - + + + + Ref ALF121 prefuel Group Leigh_D ALF121 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 15:55:47 20260501-1542-B400_B.11-45 10 H1_Day z92209cg + + - + + + + Ref PH-691-Pd-3-7 Group Leigh_D PH-691-Pd-3-7 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 15:48:49 20260501-1534-B400_B.11-44 10 H1_Day16 z92209cg + + - + + + + Ref sl-dissipative-1 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 15:44:27 20260501-1532-B400_B.11-43 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-116 Group Mills_D La(Cptt)3 + CO2 SCSC o/n sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 15:41:02 20260501-1532-B400_B.11-43 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-116 Group Mills_D La(Cptt)3 + CO2 SCSC o/n sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 15:36:40 20260501-1531-B400_B.11-42 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-115 Group Mills_D La(Cp'')3 + CO2 SCSC o/n
42 15:33:40 20260501-1531-B400_B.11-42 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-115 Group Mills_D La(Cp'')3 + CO2 SCSC o/n
41 15:19:27 20260501-1509-B400_B.11-39 30 H1_Day x06125gb + + - + + + + Ref RK8-a6 Group Crisenza_G
40 15:16:03 20260501-1509-B400_B.11-39 20 H1_Day x06125gb + + - + + + + Ref RK8-a4-a5 Group Crisenza_G
39 15:12:43 20260501-1509-B400_B.11-39 10 H1_Day x06125gb + + - + + + + Ref RK9-C Group Crisenza_G
5 15:07:41 20260501-1505-B400_B.11-5 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D
4 15:02:21 20260501-1457-B400_B.11-4 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 24hr + top up sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 14:59:02 20260501-1457-B400_B.11-4 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 24hr + top up
3 14:53:09 20260501-1452-B400_B.11-3 10 H1_Day16 z92209cg + + - + + + + Ref sl-dissipative0501-0 h Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:47:55 20260501-1446-B400_B.11-6 10 H1_Day z92209cg + + - + + + + Ref ALF120 fuelled Group Leigh_D ALF120 fuelled sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 14:36:21 20260501-1201-B400_B.11-5 1530201 H1_Day w05220ss + + - + + + + Ref Ja-SiRi-I-1530101 Group Abbenseth_J SiRi153 finished ligand BH4 in benzene MeOH mix
37 14:33:02 20260501-1424-B400_B.11-37 10 H1_ExtraWide_Day b78349dw + + - + x + + Ref DW01_064E Group Willcox_D topshim: TopshimFieldMap - signal-to-noise is too low: signal loss for long echo time, Shim failed
36 14:28:21 20260501-1424-B400_B.11-36 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_067 Group Willcox_D
35 14:16:11 20260501-1350-B400_B.11-35 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-51B Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 14:13:06 20260501-1349-B400_B.11-34 10 H1_Day z92209cg + + - + + + + Ref ALF120 prefuel Group Leigh_D ALF120 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 14:09:52 20260501-1348-B400_B.11-33 10 H1_Day z92209cg + + - + + + + Ref ALF119 prefuel Group Leigh_D ALF119 prefuel sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 14:04:29 20260501-1346-B400_B.11-31 10 H1_Day16 k48162ck + + - + + + + Ref pyranhc-pre-1 Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 13:59:46 20260501-1331-B400_B.11-30 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-216 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 13:54:02 20260501-1331-B400_B.11-28 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-215 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 13:48:37 20260501-1331-B400_B.11-27 10 H1_Day16 w52164bc + + - + + + + Ref BC-11-214 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 13:44:10 20260501-1316-B400_B.11-26 10 H1_Day16 k03582jd + + - + + + + Ref JDR145 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 13:40:07 20260501-1315-B400_B.11-25 11 B11_NoCPD_Day q50682hk - - - - - - - Ref HK-139-Cl-THF-filt Group Coram_M
25 13:32:52 20260501-1315-B400_B.11-25 8 H1_Day16 q50682hk + + - + x + + Ref HK-139-Cl-THF-filt Group Coram_M topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 13:30:08 20260501-1314-B400_B.11-22 12 P31_Wide_Day q50682hk - + - - - + + Ref HK-139-pCl-nofilt Group Willcox_D sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
22 13:27:54 20260501-1314-B400_B.11-22 11 B11_NoCPD_Day q50682hk - + - - - + + Ref HK-139-pCl-nofilt Group Willcox_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260501-1314-B400_B.11-22/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Coram_M/data/q50682hk/nmr/20260501-1314-B400_B.11-22/11/pdata/1/peaks!
22 13:20:37 20260501-1314-B400_B.11-22 10 H1_Day q50682hk + + - + x + + Ref HK-139-pCl-nofilt Group Willcox_D lock: Command 'lock CD2Cl2' failed. Lock is PENDING, topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed
21 13:16:15 20260423-1515-B400_B.11-15 41 H1_Day k56390qs + + - + + + + Ref 1013H Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 13:11:48 20260501-1301-B400_B.11-20 10 H1_Day k56390qs + + - + + + + Ref 1013G Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 13:06:58 20260501-1301-B400_B.11-19 10 H1_Day k56390qs + + - + + + + Ref 1013F Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 13:01:35 20260501-1300-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-816-col Group Greaney_M
16 12:55:38 20260501-1220-B400_B.11-14 30 H1_Day x06125gb + + - + + + + Ref RK8-b6-end Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 12:50:49 20260501-1220-B400_B.11-14 20 H1_Day x06125gb + + - + + + + Ref RK8-b1-b5 Group Crisenza_G
14 12:46:52 20260501-1220-B400_B.11-14 10 H1_Day x06125gb + + - + + + + Ref RK8-a7-a12 Group Crisenza_G
12 12:41:02 20260501-1234-B400_B.11-12 12 H1_COSY_Day p13528bg - + - - - + + Ref BG-017 post wash cosy Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 12:36:04 20260501-1234-B400_B.11-12 11 H1_Day p13528bg + + - + + + + Ref BG-017 postwash Group De bo_G
11 12:31:23 20260501-1227-B400_B.11-11 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-2-acetone Group De bo_G
10 12:29:57 20260501-1213-B400_B.11-10 2350132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-35 Group Abbenseth_J JA-SiS-II-35 P(NNN) HCl - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260501-1213-B400_B.11-10/2350132/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260501-1213-B400_B.11-10/2350132/pdata/1/peaks!
10 12:27:34 20260501-1213-B400_B.11-10 2350131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-35 Group Abbenseth_J JA-SiS-II-35 P(NNN) HCl - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 12:23:11 20260501-1213-B400_B.11-10 2350101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-35 Group Abbenseth_J JA-SiS-II-35 P(NNN) HCl - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 12:18:35 20260501-1204-B400_B.11-9 10 H1_Day x06125gb + + - + + + + Ref GCGB428c Group Crisenza_G
8 12:13:34 20260501-1203-B400_B.11-4 30 H1_Day x06125gb + + - + + + + Ref GCGB441 Group Crisenza_G
6 12:10:18 20260501-1203-B400_B.11-4 20 H1_Day x06125gb + + - + + + + Ref GCGB436Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 12:04:21 20260501-1201-B400_B.11-5 1530101 H1_Day w05220ss + + - + + + + Ref Ja-SiRi-I-1530101 Group Abbenseth_J SiRi153 finished ligand BH4 in benzene MeOH mix sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 11:58:48 20260501-1150-B400_B.11-3 10 H1_Day16 p13528bg + + - + + + + Ref BG-017a) Smallscale postwash Group De bo_G
2 11:54:02 20260501-1150-B400_B.11-2 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-42 Group Riddell_I
1 11:50:03 20260501-1149-B400_B.11-1 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-41 F11 Group Riddell_I
10 11:22:47 20260501-1113-B400_B.11-10 1550201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1550201 Group Abbenseth_J SiRi155 SbCyNNN Iodobenzene NaBArF in Acetonitrile after 1 night 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
9 11:19:04 20260501-1112-B400_B.11-9 1540201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1540201 Group Abbenseth_J SiRi154 SbCyNNN IodobenzeneCF3 no BArF in THF after 1 night 595nmn log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 11:15:28 20260501-1107-B400_B.11-8 1510201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1510201 Group Abbenseth_J SiRi151 SbCyNNN NaBPh4 IodbenzenCF3 in THF after 1 night log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
4 11:12:17 20260501-1104-B400_B.11-4 10 H1_Day a53046hl + + - + + + + Ref QBB-G53-N-oxide-1 Group Leigh_D
3 11:07:22 20260501-1057-B400_B.11-3 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-2-DMSO Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 11:01:25 20260501-1056-B400_B.11-2 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-2-CDCl3 Group De bo_G
1 10:56:55 20260501-1056-B400_B.11-1 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-166-check Group De bo_G
59 10:32:57 20260501-1026-B400_B.11-59 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-41 F17 Group Riddell_I
58 10:29:12 20260501-1025-B400_B.11-58 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-41 F12 Group Riddell_I
57 10:26:51 20260501-0919-B400_B.11-57 11 C13_CPD_Day b50715cd - + - - - + + Ref lpg029 Group Goodwin_C lpg029 - d8THF - 13C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 10:22:01 20260501-0919-B400_B.11-57 10 H1_Day16 b50715cd + + - + + + + Ref lpg029 Group Goodwin_C lpg029 - d8THF - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 10:20:35 20260501-0918-B400_B.11-56 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 10:18:49 20260501-0918-B400_B.11-56 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 10:14:35 20260501-0918-B400_B.11-56 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 10:13:09 20260501-0918-B400_B.11-55 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Mes)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 10:11:23 20260501-0918-B400_B.11-55 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Mes)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 10:07:32 20260501-0918-B400_B.11-55 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(Mes)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 10:06:06 20260501-0917-B400_B.11-54 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 10:03:41 20260501-0917-B400_B.11-54 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 09:58:11 20260501-0917-B400_B.11-54 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 09:53:24 20260501-0944-B400_B.11-6 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 on sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 09:50:17 20260501-0944-B400_B.11-6 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 on
5 09:44:47 20260501-0929-B400_B.11-5 10 H1_Day16 p13528bg + + - + + + + Ref BG-017 - crude 20h Group De bo_G
4 09:40:06 20260501-0925-B400_B.11-4 10 H1_Day16 n29715ss + + - + + + + Ref DJP_SS-stdcrudecelite Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:38:40 20260501-0913-B400_B.11-3 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:36:55 20260501-0913-B400_B.11-3 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:31:25 20260501-0913-B400_B.11-3 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(iPr)_2eq_V2_EP Group Mills_D
2 09:29:59 20260501-0913-B400_B.11-2 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_2eq_V2_EP Group Mills_D
2 09:28:14 20260501-0913-B400_B.11-2 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 09:23:31 20260501-0913-B400_B.11-2 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Mes)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:22:05 20260501-0912-B400_B.11-1 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:19:37 20260501-0912-B400_B.11-1 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:14:54 20260501-0912-B400_B.11-1 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Ph)_2eq_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 08:56:36 20260501-0853-B400_B.11-25 10 H1_Day e03178pd + + - + + + + Ref IL-pdlo-TolMychael Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 08:52:12 20260501-0843-B400_B.11-24 10 H1_Night e72206ov + + - + + + + Ref ov-012-b DMSO full test Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 08:47:52 20260501-0810-B400_B.11-31 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-4043-D-PwNEq Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 08:43:21 20260501-0810-B400_B.11-30 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-4043-C-PwNXS Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 08:39:16 20260501-0809-B400_B.11-28 10 H1_Day16 m14269jw + + - + + + + Ref IR-JW-4046-PostIso Group Riddell_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 08:34:51 20260501-0801-B400_B.11-27 10 H1_Night a53046hl + + - + + + + Ref QBB-G55-t0 Group Leigh_D
26 07:59:42 20260501-0016-B400_B.11-26 11 H1_C13_HMBC_Night r25963ar - + - - - + + Ref N2I2 HMBC Group Romanov_A N2I2 HMBC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
26 07:55:13 20260501-0016-B400_B.11-26 10 H1_Night r25963ar + + - + + + + Ref N2I2 HMBC Group Romanov_A N2I2 HMBC sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 07:50:23 20260430-1940-B400_B.11-22 10 H1_Day k04094yj + + - + + + + Ref VJ0379-New ring 1w liquid Group Leigh_D
20 07:45:54 20260430-1940-B400_B.11-20 10 H1_Day k04094yj + + - + + + + Ref VJ0378-24C8 1w liquid Group Leigh_D
18 07:39:55 20260430-1940-B400_B.11-18 10 H1_Day k04094yj + + - + + + + Ref VJ0379-New ring 1w Group Leigh_D
19 07:34:05 20260501-0733-B400_B.11-19 10 H1_Night a53046hl + + - + + + + Ref QBB-G53-24hrs Group Leigh_D
17 07:29:15 20260430-1939-B400_B.11-17 10 H1_Day k04094yj + + - + + + + Ref VJ0378-24C8 1w Group Leigh_D
15 06:54:06 20260430-1937-B400_B.11-15 15 H1_C13_HMBC_Night v73981ac - + - - - + + Ref ILAC203B-pure Group Larrosa_I mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
15 06:38:45 20260430-1937-B400_B.11-15 14 H1_C13_HSQC_Night v73981ac - + - - - + + Ref ILAC203B-pure Group Larrosa_I mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
15 06:25:16 20260430-1937-B400_B.11-15 13 H1_COSY_HiRes_Night v73981ac - + - - - + + Ref ILAC203B-pure Group Larrosa_I mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
15 06:07:46 20260430-1937-B400_B.11-15 12 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC203B-pure Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 06:02:16 20260501-0535-B400_B.11-16 10 H1_Night a53046hl + + - + + + + Ref QBB-G52-40hrs Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 05:13:52 20260430-1937-B400_B.11-15 11 H1_NOESY_US_Night v73981ac - + - - - + + Ref ILAC203B-pure Group Larrosa_I
15 05:07:59 20260430-1937-B400_B.11-15 10 H1_Night v73981ac + + - + + + + Ref ILAC203B-pure Group Larrosa_I
6 05:06:23 20260430-1856-B400_B.11-4 2340333 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) benzald - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260430-1856-B400_B.11-4/2340333/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260430-1856-B400_B.11-4/2340333/pdata/1/peaks!
6 05:04:57 20260430-1856-B400_B.11-4 2340332 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) benzald - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 05:03:13 20260430-1856-B400_B.11-4 2340331 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) benzald - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 04:59:08 20260430-1856-B400_B.11-4 2340301 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) benzald - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 04:57:15 20260430-1856-B400_B.11-4 2330333 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) p-anisidine - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 04:55:49 20260430-1856-B400_B.11-4 2330332 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) p-anisidine - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 04:54:03 20260430-1856-B400_B.11-4 2330331 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) p-anisidine - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 04:49:29 20260430-1856-B400_B.11-4 2330301 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) p-anisidine - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 04:48:03 20260430-1856-B400_B.11-4 2110932 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-11 Group Abbenseth_J JA-SiS-II-11 DCM stab test - 31P sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
4 04:45:31 20260430-1856-B400_B.11-4 2110931 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-11 Group Abbenseth_J JA-SiS-II-11 DCM stab test - 31P{1H} sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
4 04:39:23 20260430-1856-B400_B.11-4 2110901 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-11 Group Abbenseth_J JA-SiS-II-11 DCM stab test - 1H
3 04:32:31 20260430-1841-B400_B.11-3 11 H1_Day16 k48162ck + + - + + + + Ref 3,5-ditBu-aniline Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 03:38:46 20260501-0228-B400_B.11-39 11 C13_CPD_Night1024 r25963ar - + - - - + + Ref N2Br2 1H Group Romanov_A N2Br2 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 03:33:52 20260501-0228-B400_B.11-39 10 H1_Day16 r25963ar + + - + + + + Ref N2Br2 1H Group Romanov_A N2Br2 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 02:07:21 20260430-1751-B400_B.11-35 11 H1_Night1024 b19299kh - + - - - + + Ref STL-XLD-I2-2nd-cycle-drops of THF Group Liddle_S
35 01:11:08 20260430-1751-B400_B.11-35 10 C13_CPD_Night1024 b19299kh + + - + + + + Ref STL-XLD-I2-2nd-cycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 01:10:31 20260430-1749-B400_B.11-60 10 H1_Day b19299kh - - - - - - - Ref STL-XLD_NaBr6DME6-THF Group Liddle_S
16 00:31:56 20260430-1645-B400_B.11-16 12 H1_C13_HMBC_US_Night h68355ac + + - + + + + Ref djp-oc-th-atli-b Group Procter_D
24 23:56:47 20260430-0938-B400_B.11-24 14 H1_C13_HMBC_Night e72206ov - + - - - + + Ref ov-011-c+d, DMSO full test Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 23:41:25 20260430-0938-B400_B.11-24 13 H1_C13_HSQC_Night e72206ov - + - - - + + Ref ov-011-c+d, DMSO full test Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 23:27:58 20260430-0938-B400_B.11-24 12 H1_COSY_HiRes_Night e72206ov - + - - - + + Ref ov-011-c+d, DMSO full test Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
24 22:32:24 20260430-0938-B400_B.11-24 11 C13_CPD_Night1024 e72206ov + + - + + + + Ref ov-011-c+d, DMSO full test Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 21:57:15 20260430-0935-B400_B.11-23 15 H1_C13_HMBC_Night e72206ov - + - - - + + Ref ov-010.6-b post prep 2 large DMSO samp Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
23 21:41:54 20260430-0935-B400_B.11-23 14 H1_C13_HSQC_Night e72206ov - + - - - + + Ref ov-010.6-b post prep 2 large DMSO samp Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
23 21:28:26 20260430-0935-B400_B.11-23 13 H1_COSY_HiRes_Night e72206ov - + - - - + + Ref ov-010.6-b post prep 2 large DMSO samp Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
23 20:32:21 20260430-0935-B400_B.11-23 12 C13_CPD_Night1024 e72206ov + + - + + + + Ref ov-010.6-b post prep 2 large DMSO samp Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 20:28:08 20260430-1920-B400_B.11-14 10 H1_Night m52750pm + + - + + + + Ref GCPM323F5 Group Crisenza_G
12 20:23:56 20260430-1920-B400_B.11-12 10 H1_Night m52750pm + + - + + + + Ref GCPM323F4 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 20:19:31 20260430-1920-B400_B.11-11 10 H1_Night m52750pm + + - + + + + Ref GCPM323F3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 20:15:18 20260430-1919-B400_B.11-9 10 H1_Night m52750pm + + - + + + + Ref GCPM323F2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 20:10:21 20260430-1919-B400_B.11-8 10 H1_Night m52750pm + + - + + + + Ref GCPM323F1 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 20:05:04 20260430-1843-B400_B.11-19 10 H1_Night z88883sp + + - + + + + Ref L1CV Group Romanov_A L1 recovered from CV
3 19:59:36 20260430-1841-B400_B.11-3 10 H1_Night k48162ck + + - + x + + Ref 3,5-ditBu-aniline Group Romanov_A topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 19:47:55 20260430-1837-B400_B.11-10 12 H1_Night128 b19299kh - + - - - + + Ref STL-XLD-867XHD1B-THF Group Liddle_S
10 19:33:39 20260430-1837-B400_B.11-10 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-867XHD1B-THF Group Liddle_S
10 19:27:49 20260430-1837-B400_B.11-10 10 H1_Night b19299kh + + - + + + + Ref STL-XLD-867XHD1B-THF Group Liddle_S
2 18:31:36 20260429-2046-B400_B.11-2 12 C13_CPD_Night1024 j26946hi + + - + + + + Ref AT-HI-1-44B Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 18:31:03 20260429-1950-B400_B.11-9 13 C13_CPD_Night1024 b19299kh - - - - - - - Ref STL-XLD-I2-867XHD1B-drops of THF Group Liddle_S
60 18:19:21 20260430-1749-B400_B.11-60 13 H1_Night128 b19299kh - + - - - + + Ref STL-XLD_NaBr6DME6-THF Group Liddle_S
60 18:05:04 20260430-1749-B400_B.11-60 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD_NaBr6DME6-THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 17:59:10 20260430-1749-B400_B.11-60 11 H1_Night b19299kh + + - + + + + Ref STL-XLD_NaBr6DME6-THF Group Liddle_S
22 17:53:44 20260430-1741-B400_B.11-22 10 H1_Night p13528bg + + - + + + + Ref BG-017 4h crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 17:35:37 20260430-1733-B400_B.11-18 10 C13_CPD_Night256 h68355ac + + - + + + + Ref MFG-AC-810-col-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 17:21:21 20260430-1645-B400_B.11-16 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-th-atli-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 17:16:29 20260430-1645-B400_B.11-16 10 H1_Night h68355ac + + - + + + + Ref djp-oc-th-atli-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 17:10:04 20260430-1656-B400_B.11-19 10 H1_Day16 k48162ck + + - + + + + Ref pyranhc-oet-without-wash Group Romanov_A
18 17:04:27 20260430-1656-B400_B.11-18 10 H1_Day16 k48162ck + + - + + + + Ref pyranhc-oet-meoh-wash Group Romanov_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 16:59:57 20260430-1655-B400_B.11-17 10 H1_Day a53046hl + + - + + + + Ref QBB-G53-4hrs Group Leigh_D
15 16:54:57 20260430-1645-B400_B.11-15 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1119-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 16:44:44 20260430-1640-B400_B.11-14 11 H1_Quant_D1_25s_Day z61799af - + - - - + + Ref AF-333-CDCl3-SP Group Green_A
14 16:40:58 20260430-1640-B400_B.11-14 10 H1_Day z61799af + + - + + + + Ref AF-333-CDCl3-SP Group Green_A
11 16:11:40 20260430-1610-B400_B.11-11 10 H1_Quant_D1_25s_Day z61799af + + - + + + + Ref AF-333-CDCl3 Group Green_A
10 16:02:04 20260430-1137-B400_B.11-10 12 C13_CPD_Day c96786as + + - + + + + Ref sjw-as-35-1 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 15:53:52 20260430-1539-B400_B.11-6 12 F19_NoCPD_Day b50715cd - + - - - + + Ref CD279 Group Goodwin_C CD279 - CdCl3 - 19F log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6 15:51:50 20260430-1539-B400_B.11-6 11 C13_CPD_Day b50715cd - + - - - + + Ref CD279 Group Goodwin_C CD279 - CdCl3 - 13C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 15:47:27 20260430-1539-B400_B.11-6 10 H1_Day16 b50715cd + + - + + + + Ref CD279 Group Goodwin_C CD279 - CdCl3 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 15:43:50 20260430-1537-B400_B.11-5 1550101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I1550101 Group Abbenseth_J SiRi155 SbCyNNN IodobenzeneCF3 NaBArF in ACN before light log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
4 15:39:53 20260430-1536-B400_B.11-4 1540101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1540101 Group Abbenseth_J SiRi154 SbCyNNN IodobenzeneCF3 in THF no BArF log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
3 15:35:59 20260430-1533-B400_B.11-3 1510101 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1510101 Group Abbenseth_J SiRi151 SbCyNNN IodobenzeneCF3 in THF no BArF before light log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
6 15:29:14 20260430-1432-B400_B.11-6 10 H2_Day b78349dw + + - + x + + Ref DW01_064D Group Willcox_D topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed
12 15:24:46 20260430-1519-B400_B.11-12 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 10 mins sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 15:21:31 20260430-1519-B400_B.11-12 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-117 Group Mills_D La(Cptt)3 + CO2 10 mins
11 15:17:01 20260430-1511-B400_B.11-11 10 H1_Day j40457bh + + - + + + + Ref bh se 18 Group Coram_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:11:27 20260430-1137-B400_B.11-10 11 H1_Day c96786as + + - + + + + Ref sjw-as-35-1 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 14:44:30 20260430-1432-B400_B.11-6 10 H2_Day b78349dw + + - + x + + Ref DW01_064D Group Willcox_D topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed
5 14:39:27 20260430-1431-B400_B.11-5 10 H1_Day a53046hl + + - + + + + Ref QBB-G53-2hrs Group Leigh_D
4 14:35:16 20260430-1429-B400_B.11-4 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-1-t1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 14:30:13 20260430-1428-B400_B.11-3 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-quinine Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 14:06:39 20260430-1405-B400_B.11-60 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1124-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 14:01:58 20260430-1355-B400_B.11-59 10 H1_Day x06125gb + + - + + + + Ref GCGB428cF1-18 Group Crisenza_G
58 13:59:31 20260430-1334-B400_B.11-58 11 C13_CPD_Day f09303eg - + - - - + + Ref EG61 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 13:54:58 20260430-1334-B400_B.11-58 10 H1_Day f09303eg + + - + + + + Ref EG61 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 13:51:16 20260430-1342-B400_B.11-57 10 H1_Day a53046hl + + - + + + + Ref ph-691-7-3-buff65 Group Leigh_D more guest sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 13:49:50 20260430-1323-B400_B.11-56 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 13:48:06 20260430-1323-B400_B.11-56 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 13:43:50 20260430-1323-B400_B.11-56 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 13:42:24 20260430-1323-B400_B.11-55 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 13:40:39 20260430-1323-B400_B.11-55 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 13:36:40 20260430-1323-B400_B.11-55 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 13:35:14 20260430-1322-B400_B.11-54 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 13:32:45 20260430-1322-B400_B.11-54 11 P31_CPD_Day z89001ep - + - - - + + Ref YbI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 13:27:56 20260430-1322-B400_B.11-54 10 H1_Day16 z89001ep + + - + + + + Ref YbI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 13:13:37 20260430-1209-B400_B.11-60 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-2th cycle-drops of thF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 13:09:09 20260430-1209-B400_B.11-60 11 H1_Night b19299kh + + - + + + + Ref STL-XLD-I2-2th cycle-drops of thF Group Liddle_S
5 13:06:33 20260430-1259-B400_B.11-5 11 C13_CPD_Day b50715cd - + - - - + + Ref LPG029 Group Goodwin_C LPG029 - 13C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 13:00:54 20260430-1259-B400_B.11-5 10 H1_Day16 b50715cd + + - + + + + Ref LPG029 Group Goodwin_C LPG029 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 12:57:05 20260430-1248-B400_B.11-3 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1123-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 12:55:06 20260430-1247-B400_B.11-1 12 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-51-p3 after w/u Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1 12:52:40 20260430-1247-B400_B.11-1 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-51-p3 after w/u Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1 12:48:15 20260430-1247-B400_B.11-1 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-51-p3 after w/u Group Trowbridge_A
60 12:44:58 20260430-1209-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2-2th cycle-drops of thF Group Liddle_S
57 12:40:26 20260430-1236-B400_B.11-57 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-Danny-1-t1 Group De bo_G
56 12:38:31 20260430-1226-B400_B.11-56 11 C13_CPD_Day f09303eg - + - - - + + Ref EG61 Group Webb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:34:56 20260430-1226-B400_B.11-56 10 H1_Day f09303eg + + - + + + + Ref EG61 Group Webb_S
18 12:30:31 20260430-0859-B400_B.11-18 11 H1_Day k56390qs + + - + + + + Ref 1013E Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 12:26:07 20260429-1451-B400_B.11-17 11 H1_Day k56390qs + + - + + + + Ref 1013D Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 12:21:08 20260429-1451-B400_B.11-16 11 H1_Day k56390qs + + - + + + + Ref 1013A Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 12:03:17 20260430-1114-B400_B.11-8 12 H1_C13_HSQC_Night r25963ar + + - + + + + Ref N2I2 HSQC Group Romanov_A N2I2 HSQC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
6 11:58:56 20260430-1128-B400_B.11-6 10 H1_Day16 j88755sb + + - + + + + Ref capg-sb036-Y-B-wd5-Py Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 11:57:15 20260430-1140-B400_B.11-11 12 B11_NoCPD_Day b78349dw - + - - - + + Ref DW01_063C Group Willcox_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/b78349dw/nmr/20260430-1140-B400_B.11-11/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/b78349dw/nmr/20260430-1140-B400_B.11-11/12/pdata/1/peaks!
11 11:51:15 20260430-1140-B400_B.11-11 11 Si29_DEPT90_Day b78349dw - + - - - + + Ref DW01_063C Group Willcox_D sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/b78349dw/nmr/20260430-1140-B400_B.11-11/11/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/b78349dw/nmr/20260430-1140-B400_B.11-11/11/pdata/1/peaks!
11 11:46:19 20260430-1140-B400_B.11-11 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_063C Group Willcox_D
10 11:40:48 20260430-1137-B400_B.11-10 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_064D Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 11:25:09 20260430-1114-B400_B.11-8 11 H1_COSY_HiRes_Night r25963ar + + - + + + + Ref N2I2 HSQC Group Romanov_A N2I2 HSQC mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
10 11:19:53 20260430-1116-B400_B.11-10 10 H1_Day a53046hl + + - + + + + Ref QBB-G51-15hrs Group Leigh_D
8 11:15:43 20260430-1114-B400_B.11-8 10 H1_Night r25963ar + + - + + + + Ref N2I2 Group Romanov_A N2I2 COSY sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 11:11:55 20260430-1046-B400_B.11-5 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 11:10:10 20260430-1046-B400_B.11-5 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 11:05:21 20260430-1046-B400_B.11-5 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(iPr)_2eq_EP Group Mills_D
4 11:03:55 20260430-1046-B400_B.11-4 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 11:02:10 20260430-1046-B400_B.11-4 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 10:57:53 20260430-1046-B400_B.11-4 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Mes)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:56:26 20260430-1045-B400_B.11-3 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:54:01 20260430-1045-B400_B.11-3 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 10:48:24 20260430-1045-B400_B.11-3 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Ph)_2eq_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 10:19:04 20260430-1011-B400_B.11-26 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1121-d2o Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 10:14:52 20260430-1010-B400_B.11-25 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1121-ab-meod Group Procter_D
24 10:10:04 20260430-0938-B400_B.11-24 10 H1_Night e72206ov + + - + + + + Ref ov-011-c+d, DMSO full test Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 10:06:24 20260429-1646-B400_B.11-43 11 H1_Day a53046hl + + - + + + + Ref ph-688-3-7-buf55 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 10:02:01 20260429-1645-B400_B.11-42 11 H1_Day a53046hl + + - + + + + Ref ph-691-3-7-buf55 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 09:58:43 20260430-0946-B400_B.11-28 10 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 2.5d
27 09:55:24 20260430-0946-B400_B.11-27 10 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 2.5d
26 09:52:19 20260430-0945-B400_B.11-26 10 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 2.5d sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 09:48:34 20260430-0943-B400_B.11-25 10 H1_Day a53046hl + + - + + + + Ref ph-691-7-3-buff65 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 09:43:43 20260430-0935-B400_B.11-23 11 H1_Night e72206ov + + - + + + + Ref ov-010.6-b post prep 2 large DMSO samp Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:38:53 20260430-0933-B400_B.11-3 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-114 Group Mills_D La(Cptt)3 + CO2 40 hrs? sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:35:19 20260430-0933-B400_B.11-3 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-114 Group Mills_D La(Cptt)3 + CO2 40 hrs? sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 09:16:25 20260430-0902-B400_B.11-22 11 P31_Wide_Day b78349dw - + - - - + + Ref DW01_064C_1week Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 09:12:24 20260430-0902-B400_B.11-22 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_064C_1week Group Willcox_D
20 09:08:01 20260430-0900-B400_B.11-19 20 H1_Day x06125gb + + - + + + + Ref GCGB449Cr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 09:04:11 20260430-0900-B400_B.11-19 10 H1_Day x06125gb + + - + + + + Ref GCGB448Cr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 08:59:52 20260430-0859-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1121-meod Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 08:53:57 20260430-0852-B400_B.11-3 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_065_1week Group Willcox_D
2 08:52:02 20260429-2046-B400_B.11-2 11 F19_NoCPD_Day j26946hi - + - - - + + Ref AT-HI-1-44B Group Trowbridge_A log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2 08:48:31 20260429-2046-B400_B.11-2 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-44B Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 08:34:09 20260429-1950-B400_B.11-9 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2-867XHD1B-drops of THF Group Liddle_S
9 08:20:26 20260429-1950-B400_B.11-9 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2-867XHD1B-drops of THF Group Liddle_S
55 08:16:39 20260429-1940-B400_B.11-55 10 H1_Day k04094yj + + - + + + + Ref VJ0382-2nd org Group Leigh_D
59 08:10:00 20260430-0745-B400_B.11-59 11 F19_NoCPD_Night mbdxkrn2 - + - - - + + Ref GDB-RN1670 Crude - Acetone-d6 Group De bo_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
59 08:05:21 20260430-0745-B400_B.11-59 10 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1670 Crude - Acetone-d6 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 08:00:17 20260430-0744-B400_B.11-58 10 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1669 Column Fractions 12-17 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 07:54:29 20260430-0744-B400_B.11-57 10 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1669 Column Fraction 9 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 07:48:43 20260430-0743-B400_B.11-56 10 H1_Night mbdxkrn2 + + - + + + + Ref GDB-RN1669 Column Fractions 5-6 - CDCl3 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 07:42:55 20260429-1939-B400_B.11-54 10 H1_Day k04094yj + + - + + + + Ref VJ0382-1st org Group Leigh_D
51 07:27:41 20260429-1725-B400_B.11-51 12 H1_C13_HSQC_US_Night h68355ac - + - - - + + Ref djp-oc-1121-aw-ch Group Procter_D
51 06:52:50 20260429-1725-B400_B.11-51 11 H1_C13_HMBC_US_Night h68355ac - + - - - + + Ref djp-oc-1121-aw-ch Group Procter_D
51 06:47:17 20260429-1725-B400_B.11-51 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1121-aw-ch Group Procter_D
59 06:41:55 20260429-1724-B400_B.11-59 10 H1_Day16 k03582jd + + - + + + + Ref JDR142 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 06:36:47 20260429-1724-B400_B.11-58 10 H1_Day16 k03582jd + + - + + + + Ref JDR141 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 06:31:36 20260429-1724-B400_B.11-57 10 H1_Day16 k03582jd + + - + + + + Ref JDR140 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 05:56:27 20260429-1721-B400_B.11-50 14 H1_C13_HMBC_Night j88755sb - + - - - + + Ref capg-sb038-La-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
50 05:41:05 20260429-1721-B400_B.11-50 13 H1_C13_HSQC_Night j88755sb - + - - - + + Ref capg-sb038-La-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
50 05:27:37 20260429-1721-B400_B.11-50 12 H1_COSY_HiRes_Night j88755sb - + - - - + + Ref capg-sb038-La-A Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
50 05:12:28 20260429-1721-B400_B.11-50 11 C13_CPD_Night256 j88755sb - + - - - + + Ref capg-sb038-La-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 05:08:00 20260429-1721-B400_B.11-50 10 H1_Night j88755sb + + - + + + + Ref capg-sb038-La-A Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 05:06:35 20260429-1647-B400_B.11-44 2340233 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Aldehyde - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 05:05:09 20260429-1647-B400_B.11-44 2340232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Aldehyde - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260429-1647-B400_B.11-44/2340232/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260429-1647-B400_B.11-44/2340232/pdata/1/peaks!
45 05:03:25 20260429-1647-B400_B.11-44 2340231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Aldehyde - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 04:59:14 20260429-1647-B400_B.11-44 2340201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Aldehyde - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 04:57:49 20260429-1647-B400_B.11-44 2330233 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisidine - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 04:56:23 20260429-1647-B400_B.11-44 2330232 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisidine - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 04:53:58 20260429-1647-B400_B.11-44 2330231 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisidine - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 04:49:37 20260429-1647-B400_B.11-44 2330201 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisidine - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 04:43:40 20260429-1636-B400_B.11-1 10 H1_Day16 b59259yj + + - + + + + Ref MTYJ627094C Group Turner_M
38 04:37:55 20260427-0835-B400_B.11-37 21 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 04:32:23 20260429-1630-B400_B.11-37 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P7 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 04:28:13 20260429-1543-B400_B.11-36 445 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-444 Group Abbenseth_J SiRitest444 Trifluorotoluene and IodobenzeneCF3 in C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
15 02:59:21 20260429-1337-B400_B.11-15 10 H1_Night1024 j83970qc + + - + + + + Ref qc e826 psp Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 01:30:22 20260429-1337-B400_B.11-14 10 H1_Night1024 j83970qc + + - + + + + Ref qc e825 psp Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 01:15:01 20260429-1120-B400_B.11-41 15 H1_C13_HSQC_Night z40973rs - + - - - + + Ref gdb-rs-233 pure Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 00:37:20 20260429-1120-B400_B.11-41 14 H1_C13_HMBC_Night z40973rs + + - + + + + Ref gdb-rs-233 pure Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
4 23:39:19 20260429-1015-B400_B.11-4 10 C13_CPD_Night1024 x06125gb + + - + + + + Ref GCGB442Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 23:09:44 20260428-2028-B400_B.11-19 13 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-14-20260426b-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 22:55:29 20260428-2257-B400_B.11-12 16 C13_CPD_Night256 w61916tz - + - - - + + Ref sy-tz-15-20260426b-13ccpd Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 22:25:47 20260428-2257-B400_B.11-12 15 C13_DEPT90_Night w61916tz + + - + + + + Ref sy-tz-15-20260426b-dept90 Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 22:18:42 20260429-1951-B400_B.11-10 12 Si29_DEPT90_Day b19299kh + + - + + + + Ref STL-XLD-I2_NaCBD-Hex filtrate-neat C6D6 Group Liddle_S sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260429-1951-B400_B.11-10/12/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Liddle_S/data/b19299kh/nmr/20260429-1951-B400_B.11-10/12/pdata/1/peaks!
20 22:13:28 20260429-2141-B400_B.11-20 10 H1_Night w61916tz + + - + + + + Ref sy-tz-20-20260426b-1h Group Yang_S
8 22:08:40 20260429-2012-B400_B.11-8 10 H1_Night w61916tz + + - + + + + Ref sy-tz-18-20260426b-1h Group Yang_S
6 22:04:05 20260429-2011-B400_B.11-6 10 H1_Night w61916tz + + - + + + + Ref sy-tz-17-20260426b-1h Group Yang_S
56 21:56:42 20260429-1644-B400_B.11-56 10 H1_Day16 a53046hl + + - + + + + Ref b1p2-10 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 21:42:27 20260429-1951-B400_B.11-10 11 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-I2_NaCBD-Hex filtrate-neat C6D6 Group Liddle_S
10 21:28:29 20260429-1951-B400_B.11-10 10 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2_NaCBD-Hex filtrate-neat C6D6 Group Liddle_S
60 21:14:14 20260429-1928-B400_B.11-60 11 C13_CPD_Night256 g16660ml - + - - - + + Ref djp-muze-4-ph-substrate Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 21:09:32 20260429-1928-B400_B.11-60 10 H1_Night g16660ml + + - + + + + Ref djp-muze-4-ph-substrate Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 20:55:16 20260429-1744-B400_B.11-5 11 C13_CPD_Night256 g16660ml - + - - - + + Ref djp-muze-4ph-beforecross Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 20:50:49 20260429-1744-B400_B.11-5 10 H1_Night g16660ml + + - + + + + Ref djp-muze-4ph-beforecross Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 20:36:33 20260429-1743-B400_B.11-3 11 C13_CPD_Night256 g16660ml - + - - - + + Ref djp-muze-substrate-noph-me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 20:31:50 20260429-1743-B400_B.11-3 10 H1_Night g16660ml + + - + + + + Ref djp-muze-substrate-noph-me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 20:26:15 20260429-1726-B400_B.11-2 10 H1_Night a53046hl + + - + + + + Ref QBB-G51-3hrs Group Leigh_D
49 20:12:00 20260429-1720-B400_B.11-49 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-th-4-cl Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 20:06:51 20260429-1720-B400_B.11-49 10 H1_Night h68355ac + + - + + + + Ref djp-oc-th-4-cl Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 19:52:35 20260429-1719-B400_B.11-48 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-th-3-me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 19:46:27 20260429-1719-B400_B.11-48 10 H1_Night h68355ac + + - + + + + Ref djp-oc-th-3-me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 19:40:30 20260429-1712-B400_B.11-47 10 H1_Night p13528bg + + - + + + + Ref BG RN-713 check Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 19:36:48 20260429-1646-B400_B.11-43 10 H1_Day a53046hl + + - + + + + Ref ph-688-3-7-buf55 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 19:32:34 20260429-1645-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref ph-691-3-7-buf55 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 19:29:24 20260429-1644-B400_B.11-56 10 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 35h
55 19:25:46 20260429-1644-B400_B.11-55 10 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 35h
54 19:22:31 20260429-1642-B400_B.11-54 10 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 35h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 19:08:15 20260429-1640-B400_B.11-40 11 C13_CPD_Night256 b59259yj - + - - - + + Ref MTYJ627094A Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 18:53:49 20260429-1640-B400_B.11-40 10 H1_Night128 b59259yj + + - + + + + Ref MTYJ627094A Group Turner_M
39 18:39:33 20260429-1638-B400_B.11-39 11 C13_CPD_Night256 b59259yj - + - - - + + Ref MTYJ643041 Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 18:24:58 20260429-1638-B400_B.11-39 10 H1_Night128 b59259yj + + - + + + + Ref MTYJ643041 Group Turner_M
1 18:06:35 20260429-1636-B400_B.11-1 11 C13_CPD_Night256 b59259yj + + - + + + + Ref MTYJ627094C Group Turner_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 17:48:41 20260429-1304-B400_B.11-6 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1116-c Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 17:32:05 20260429-1059-B400_B.11-60 13 C13_CPD_Night256 b19299kh + + - + + + + Ref STL-XLD-I2 from Br2-6th cycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 17:29:09 20260429-1543-B400_B.11-36 444 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-444 Group Abbenseth_J SiRitest444 Trifluorotoluene and IodobenzeneCF3 in C6D6 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 17:25:52 20260429-1526-B400_B.11-33 30 H1_Day x06125gb + + - + + + + Ref RK8-C Group Crisenza_G
34 17:22:02 20260429-1526-B400_B.11-33 20 H1_Day x06125gb + + - + + + + Ref RK7-C Group Crisenza_G
33 17:15:50 20260429-1526-B400_B.11-33 10 H1_Day x06125gb + + - + + + + Ref RK5-PF Group Crisenza_G
32 17:09:44 20260423-1618-B400_B.11-32 11 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P6 Group De bo_G
31 17:05:59 20260429-1533-B400_B.11-31 10 H1_Day k56390qs + + - + + + + Ref 1013C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 16:52:38 20260429-1524-B400_B.11-30 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-120 Group Greaney_M
29 16:47:29 20260426-2347-B400_B.11-29 15 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P2-3 Group De bo_G
28 16:42:58 20260429-1536-B400_B.11-28 10 H1_Day c96786as + + - + + + + Ref sjw-as-35cr Group Webb_S
27 16:29:17 20260429-1523-B400_B.11-27 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-119 Group Greaney_M
26 16:16:12 20260429-1523-B400_B.11-26 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-118 Group Greaney_M
25 16:12:09 20260429-1532-B400_B.11-25 10 H1_Day k56390qs + + - + + + + Ref 1013B Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 15:59:53 20260429-1523-B400_B.11-24 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-117 Group Greaney_M
23 15:47:09 20260429-1522-B400_B.11-23 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-116 Group Greaney_M
22 15:41:58 20260429-1530-B400_B.11-22 10 H1_Day16 p13528bg + + - + + + + Ref BG007b) washed CHCL3 Group De bo_G
21 15:37:26 20260423-1515-B400_B.11-15 41 H1_Day k56390qs + + - + + + + Ref 1013A Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 15:24:53 20260429-1522-B400_B.11-20 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-115 Group Greaney_M
18 15:19:53 20260429-1513-B400_B.11-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1121-ac-s2 Group Procter_D
17 15:15:20 20260429-1451-B400_B.11-17 10 H1_Day16 j83970qc + + - + + + + Ref qc e826 ps meoh Group De bo_G
16 15:10:30 20260429-1451-B400_B.11-16 10 H1_Day16 j83970qc + + - + + + + Ref qc e825 ps meoh Group De bo_G
11 15:07:12 20260429-1355-B400_B.11-11 1450601 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1450601 Group Abbenseth_J SiRi145 SbXylNNN NaBArF Iodobenzene in THF after 1 week 595nm with trifluorotoluene added log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
8 15:04:03 20260429-1441-B400_B.11-8 11 H2_Day z40241jm - + - - - + + Ref DJP-JIM-8-083-1a Group Procter_D
8 14:58:32 20260429-1441-B400_B.11-8 10 H1_Day16 z40241jm + + - + + + + Ref DJP-JIM-8-083-1a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 14:53:17 20260429-1430-B400_B.11-5 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P5 Group De bo_G
3 14:47:12 20260429-1430-B400_B.11-3 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P4 Group De bo_G
2 14:41:44 20260429-1429-B400_B.11-2 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P3 Group De bo_G
1 14:34:46 20260429-1428-B400_B.11-1 10 H1_Day16 y52364mw + + - + + + + Ref GDB-MJ-344-P2 Group De bo_G
60 14:20:07 20260429-1059-B400_B.11-60 11 H1_Night128 b19299kh + + - + + + + Ref STL-XLD-I2 from Br2-6th cycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 14:17:45 20260429-1120-B400_B.11-41 13 H1_Night z40973rs - + - - - + + Ref gdb-rs-233 pure Group De bo_G
41 14:00:58 20260429-1120-B400_B.11-41 12 C13_CPD_Night256 z40973rs + + - + + + + Ref gdb-rs-233 pure Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 13:57:34 20260429-1355-B400_B.11-11 1450501 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1450501 Group Abbenseth_J SiRi145 SbXylNNN NaBArF Iodobenzene in THF after 1 week 595nm with trifluorotoluene added log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
10 13:54:18 20260429-1346-B400_B.11-10 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-roglet-crude Group Greaney_M
9 13:49:56 20260429-1306-B400_B.11-9 11 C13_DEPTQ_Day h32367lm - + - - - + + Ref LM290426-socl-SM Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 13:45:09 20260429-1306-B400_B.11-9 10 H1_Day16 h32367lm + + - + + + + Ref LM290426-socl-SM Group Leigh_D
8 13:40:41 20260429-1305-B400_B.11-8 11 C13_DEPTQ_Day h32367lm - + - - - + + Ref LM290426-socl-col Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 13:35:18 20260429-1305-B400_B.11-8 10 H1_Day16 h32367lm + + - + + + + Ref LM290426-socl-col Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 13:33:16 20260422-0730-B400_B.11-7 13 F19_NoCPD_Day d93111sd - + - - - + + Ref IL-SD-394 Group Larrosa_I log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
7 13:26:21 20260422-0730-B400_B.11-7 12 H1_Day16 d93111sd + + - + + + + Ref IL-SD-394 Group Larrosa_I
5 13:20:40 20260429-1301-B400_B.11-5 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1121-is Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 13:18:36 20260429-1242-B400_B.11-3 11 F19_NoCPD_Day k03582jd - + - - - + + Ref JDR139 Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
3 13:10:25 20260429-1242-B400_B.11-3 10 H1_Day16 k03582jd + + - + + + + Ref JDR139 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:05:58 20260429-1236-B400_B.11-2 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref SV-DPM-114 Group Mills_D La(Cptt)3 + CO2 20 hrs sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:02:34 20260429-1236-B400_B.11-2 10 H1_Day v97511sv + + - + + + + Ref SV-DPM-114 Group Mills_D La(Cptt)3 + CO2 20 hrs sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 13:00:31 20260429-1242-B400_B.11-1 11 F19_NoCPD_Day k03582jd - + - - - + + Ref JDR138 Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1 12:55:38 20260429-1242-B400_B.11-1 10 H1_Day16 k03582jd + + - + + + + Ref JDR138 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 12:50:23 20260429-1229-B400_B.11-59 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 12:45:40 20260429-1229-B400_B.11-58 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze-me Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 12:41:02 20260429-1229-B400_B.11-57 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze-4-ph Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 12:37:52 20260429-1227-B400_B.11-56 10 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff-65-fuel Group Leigh_D 28h
55 12:34:20 20260429-1227-B400_B.11-55 10 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff-65-fuel Group Leigh_D 28h
54 12:30:47 20260429-1226-B400_B.11-54 10 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff-65-fuel Group Leigh_D 28h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 12:27:36 20260429-1212-B400_B.11-51 333 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SIRi-I-333 Group Abbenseth_J SiRitest222 Trifluorotoluene in THF and Idotrifluorotoluene topshim: TopshimFieldMap - signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
60 12:25:02 20260429-1059-B400_B.11-60 12 C13_CPD_Day b19299kh - + - - - + + Ref STL-XLD-I2 from Br2-6th cycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 12:21:35 20260429-1059-B400_B.11-60 10 H1_Day b19299kh + + - + + + + Ref STL-XLD-I2 from Br2-6th cycle-drops of THF Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 12:18:32 20260429-1212-B400_B.11-51 222 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SIRi-I-222 Group Abbenseth_J SiRitest222 Trifluorotoluene in THF topshim: TopshimFieldMap - signal-to-noise is too low, log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
50 12:16:22 20260429-1150-B400_B.11-50 112 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-111 Group Abbenseth_J SiRi test111 IodobenzeneCF3 in C6D6 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
50 12:13:16 20260429-1150-B400_B.11-50 111 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-111 Group Abbenseth_J SiRi test111 IodobenzeneCF3 in C6D6 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 12:11:13 20260429-1149-B400_B.11-49 14 P31_Wide_Day a76294rm - + - - - + + Ref REM-337-La(II)+P4-crude Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 12:09:05 20260429-1149-B400_B.11-49 13 P31_Wide_Day a76294rm - + - - - + + Ref REM-337-La(II)+P4-crude Group Goodwin_C sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260429-1149-B400_B.11-49/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260429-1149-B400_B.11-49/13/pdata/1/peaks!
49 12:07:10 20260429-1149-B400_B.11-49 12 P31_Wide_Day a76294rm - + - - - + + Ref REM-337-La(II)+P4-crude Group Goodwin_C sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
49 12:05:26 20260429-1149-B400_B.11-49 11 P31_Wide_Day a76294rm - + - - - + + Ref REM-337-La(II)+P4-crude Group Goodwin_C sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260429-1149-B400_B.11-49/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260429-1149-B400_B.11-49/11/pdata/1/peaks!
49 12:01:22 20260429-1149-B400_B.11-49 10 H1_Day16 a76294rm + + - + + + + Ref REM-337-La(II)+P4-crude Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 11:58:08 20260429-1126-B400_B.11-48 1290501 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1290501 Group Abbenseth_J SiRi129 SbXylNNN MeOTf after weeks and 1 day 595nm sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 11:50:50 20260429-1124-B400_B.11-47 1171201 H1_Day w05220ss + + - + x + + Ref JA-SiRi-I-1171201 Group Abbenseth_J SiRi117 SbCyNNN in DCM after weeks and 1 day 595nm topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
45 11:46:26 20260429-1045-B400_B.11-43 30 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-024D Group Trowbridge_A
44 11:41:02 20260429-1045-B400_B.11-43 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-024C Group Trowbridge_A
43 11:34:48 20260429-1045-B400_B.11-43 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-024B Group Trowbridge_A
41 11:28:55 20260429-1120-B400_B.11-41 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-233 pure Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
41 11:24:04 20260429-1120-B400_B.11-41 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-233 pure Group De bo_G
40 11:22:35 20260429-1102-B400_B.11-40 2340132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Bnezald - start 10:50AM - 31P sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260429-1102-B400_B.11-40/2340132/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Abbenseth_J/data/w05220ss/nmr/20260429-1102-B400_B.11-40/2340132/pdata/1/peaks!
40 11:20:35 20260429-1102-B400_B.11-40 2340131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Bnezald - start 10:50AM - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 11:16:39 20260429-1102-B400_B.11-40 2340101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-34 Group Abbenseth_J JA-SiS-II-34 P(NNN) Bnezald - start 10:50AM - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 11:11:01 20260429-1045-B400_B.11-39 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-024A Group Trowbridge_A
37 11:03:01 20260429-1045-B400_B.11-36 20 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-027B Group Trowbridge_A
36 10:57:00 20260429-1045-B400_B.11-36 10 H1_Day16 b26045ab + + - + + + + Ref AT-ABO-03-027A Group Trowbridge_A
35 10:55:32 20260429-1032-B400_B.11-35 12 P31_NoCPD_Day z89001ep - + - - - + + Ref LaI3_BIPP(iPr)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 10:53:48 20260429-1032-B400_B.11-35 11 P31_CPD_Day z89001ep - + - - - + + Ref LaI3_BIPP(iPr)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 10:49:19 20260429-1032-B400_B.11-35 10 H1_Day16 z89001ep + + - + + + + Ref LaI3_BIPP(iPr)_V3_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 10:47:53 20260429-1032-B400_B.11-34 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YI3_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 10:46:09 20260429-1032-B400_B.11-34 11 P31_CPD_Day z89001ep - + - - - + + Ref YI3_BIPP(iPr)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 10:41:54 20260429-1032-B400_B.11-34 10 H1_Day16 z89001ep + + - + + + + Ref YI3_BIPP(iPr)_V2_EP Group Mills_D
33 10:40:27 20260429-1031-B400_B.11-33 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YI3_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 10:38:43 20260429-1031-B400_B.11-33 11 P31_CPD_Day z89001ep - + - - - + + Ref YI3_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 10:33:32 20260429-1031-B400_B.11-33 10 H1_Day16 z89001ep + + - + + + + Ref YI3_BIPP(Ph)_V2_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 10:24:57 20260429-1022-B400_B.11-8 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_FeOPh Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 10:23:32 20260429-1012-B400_B.11-6 2320332 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-32 Group Abbenseth_J JA-SiS-II-32 P(NNN) NH3 after one night - 31P
6 10:20:22 20260429-1012-B400_B.11-6 2320331 P31_Wide_Day w05220ss + + - + + + + Ref JA-SiS-II-32 Group Abbenseth_J JA-SiS-II-32 P(NNN) NH3 after one night - 31P{1h}
5 10:18:56 20260429-1009-B400_B.11-5 2330132 P31_NoCPD_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisisne Start 10:00 - 31P sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 10:16:32 20260429-1009-B400_B.11-5 2330131 P31_Wide_Day w05220ss - + - - - + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisisne Start 10:00 - 31P{1H} sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 10:12:01 20260429-1009-B400_B.11-5 2330101 H1_Day16 w05220ss + + - + + + + Ref JA-SiS-II-33 Group Abbenseth_J JA-SiS-II-33 P(NNN) Anisisne Start 10:00 - 1H sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 09:53:10 20260429-0948-B400_B.11-4 10 C13_CPD_Day x06125gb + + - + + + + Ref GCGB442Pr Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:49:46 20260429-0931-B400_B.11-3 1500201 F19_NoCPD_Day w05220ss + + - + + + + Ref JA-SiRi-I-1500201 Group Abbenseth_J SiRi150 SbMesNNN NaBArF IodobenzeneCF3 in THF after 1 day 595nm log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!
2 09:47:35 20260429-0929-B400_B.11-2 1490302 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1490301 Group Abbenseth_J SiRi149 SbCyNNN IodobenzeneCF3 in benzene no BArF after 1 day 595 log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
2 09:44:25 20260429-0929-B400_B.11-2 1490301 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1490301 Group Abbenseth_J SiRi149 SbCyNNN IodobenzeneCF3 in benzene no BArF after 1 day 595 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 09:40:03 20260429-0922-B400_B.11-49 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-114 Group Mills_D La(Cptt)3 + CO2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 09:36:56 20260429-0922-B400_B.11-49 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-114 Group Mills_D La(Cptt)3 + CO2 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 09:33:45 20260429-0919-B400_B.11-45 30 H1_Day x06125gb + + - + + + + Ref GCGB440Flush Group Crisenza_G
47 09:29:58 20260429-0919-B400_B.11-45 20 H1_Day x06125gb + + - + + + + Ref GCGB440F20- Group Crisenza_G
45 09:25:54 20260429-0919-B400_B.11-45 10 H1_Day x06125gb + + - + + + + Ref GCGB442Pr Group Crisenza_G
44 09:22:30 20260428-1325-B400_B.11-44 16 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 25h
43 09:19:12 20260428-1324-B400_B.11-43 17 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 25h
42 09:15:40 20260428-1518-B400_B.11-42 16 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 25h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 09:00:00 20260420-1033-B400_B.11-1 18 H1_make_shim.icon service + + - + + + + Ref sucrose shm Group Service sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260420-1033-B400_B.11-1/18/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260420-1033-B400_B.11-1/18/pdata/1/peaks No peak is found in the specified ranges!
12 07:51:22 20260428-2257-B400_B.11-12 14 H1_C13_HMBC_Night w61916tz - + - - - + + Ref sy-tz-15-20260426b-hmbc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 07:36:01 20260428-2257-B400_B.11-12 13 H1_C13_HSQC_Night w61916tz - + - - - + + Ref sy-tz-15-20260426b-hsqc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 07:22:34 20260428-2257-B400_B.11-12 12 H1_COSY_HiRes_Night w61916tz - + - - - + + Ref sy-tz-15-20260426b-cosy Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
12 07:17:48 20260428-2257-B400_B.11-12 10 H1_Night w61916tz + + - + + + + Ref sy-tz-15-20260426b-1h Group Yang_S
44 07:14:38 20260428-1325-B400_B.11-44 15 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 22h
43 07:11:12 20260428-1324-B400_B.11-43 16 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 22h
42 07:07:10 20260428-1518-B400_B.11-42 15 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 22h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 07:02:12 20260428-1941-B400_B.11-11 10 H1_Day k04094yj + + - + + + + Ref VJ0381-11-12 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 06:56:52 20260428-1940-B400_B.11-10 10 H1_Day k04094yj + + - + + + + Ref VJ0381-crude Group Leigh_D
9 06:52:40 20260428-1940-B400_B.11-9 10 H1_Day k04094yj + + - + + + + Ref VJ0380-ORG-DMSO Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 06:47:53 20260428-1939-B400_B.11-6 10 H1_Day k04094yj + + - + + + + Ref VJ0380-ORG-CDCl3 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 06:35:34 20260428-0948-B400_B.11-17 11 H1_Quant_D1_25s_Day m56482jm + + - + + + + Ref JAM504 Group Cobb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 06:23:08 20260428-0948-B400_B.11-16 11 H1_Quant_D1_25s_Day m56482jm + + - + + + + Ref JAM503 Group Cobb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 06:10:31 20260428-0948-B400_B.11-15 11 H1_Quant_D1_25s_Day m56482jm + + - + + + + Ref JAM502 Group Cobb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 05:57:43 20260428-0936-B400_B.11-14 11 H1_Quant_D1_25s_Day m56482jm + + - + + + + Ref JAM501 Group Cobb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 04:59:42 20260428-1734-B400_B.11-18 10 C13_CPD_Night1024 h68355ac + + - + + + + Ref MFG-AC-767-(a)-col-C Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 04:24:32 20260428-1644-B400_B.11-2 13 H1_C13_HMBC_Night h68355ac - + - - - + + Ref djp-oc-1118-ac Group Procter_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 04:22:03 20260428-1644-B400_B.11-2 12 H1_Night h68355ac - + - - - + + Ref djp-oc-1118-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 03:24:05 20260428-1644-B400_B.11-2 11 C13_CPD_Night1024 h68355ac + + - + + + + Ref djp-oc-1118-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 03:22:40 20260428-1643-B400_B.11-35 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 03:20:49 20260428-1643-B400_B.11-35 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 03:15:44 20260428-1643-B400_B.11-35 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 03:11:21 20260428-1642-B400_B.11-34 12 P31_NoCPD_Day z89001ep + + - + + + + Ref SmI2_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 02:44:07 20260428-1312-B400_B.11-39 19 C13_DEPT135_Night a76294rm - + - - - + + Ref REM-SctolSC Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 02:16:43 20260428-1312-B400_B.11-39 18 C13_DEPT90_Night a76294rm - + - - - + + Ref REM-SctolSC Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 01:41:32 20260428-1312-B400_B.11-39 17 H1_C13_HMBC_Night a76294rm - + - - - + + Ref REM-SctolSC Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
39 01:23:17 20260428-1312-B400_B.11-39 16 H1_C13_HSQC_Night a76294rm + + - + + + + Ref REM-SctolSC Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
8 23:54:34 20260428-1144-B400_B.11-8 10 H1_Night1024 mbdxkrn2 + + - + + + + Ref qc-006-25 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 22:25:12 20260428-0916-B400_B.11-5 10 H1_Night1024 j83970qc + + - + + + + Ref qc e826 ps Group De bo_G
44 22:22:02 20260428-1325-B400_B.11-44 14 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 14h
43 22:18:34 20260428-1324-B400_B.11-43 15 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 14h
42 22:14:52 20260428-1518-B400_B.11-42 14 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 14h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 22:09:52 20260428-2154-B400_B.11-55 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-Danny-1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 22:04:01 20260428-2153-B400_B.11-54 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-quinine Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 21:56:51 20260428-2106-B400_B.11-47 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-2-624-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 21:41:29 20260428-2028-B400_B.11-19 12 H1_C13_HSQC_Night w61916tz - + - - - + + Ref sy-tz-14-20260426b-hsqc Group Yang_S mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
19 21:27:08 20260428-2028-B400_B.11-19 11 C13_CPD_Night256 w61916tz - + - - - + + Ref sy-tz-14-20260426b-13c-cpd Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 21:22:28 20260428-2028-B400_B.11-19 10 H1_Night w61916tz + + - + + + + Ref sy-tz-14-20260426b-1h Group Yang_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 21:18:40 20260428-1651-B400_B.11-3 12 H1_Day a53046hl + + - + + + + Ref ph-695-7-3-buf65 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 21:15:18 20260428-1520-B400_B.11-45 11 H1_Day a53046hl + + - + + + + Ref ph-693-dep-tlc Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 21:11:34 20260428-1518-B400_B.11-42 13 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 12h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 21:08:16 20260428-1324-B400_B.11-43 14 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 12h
44 21:04:47 20260428-1325-B400_B.11-44 13 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 11h
12 20:57:58 20260428-1955-B400_B.11-12 11 F19_NoCPD_Night w61916tz - + - - - + + Ref sy-tz-13-20260425b-tfoh-19f Group Yang_S log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
12 20:51:32 20260428-1955-B400_B.11-12 10 H1_Night w61916tz + + - + + + + Ref sy-tz-13-20260425b-tfoh-1h Group Yang_S
4 19:22:30 20260428-0916-B400_B.11-4 10 H1_Night1024 j83970qc + + - + + + + Ref qc e825 ps Group De bo_G
48 19:18:21 20260428-1826-B400_B.11-48 10 H1_Night w05220ss + + - + + + + Ref JA-SiS-p-Anisidine Group Abbenseth_J JA-SiS-p-Anisidine sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 19:14:52 20260428-1805-B400_B.11-47 10 H1_Day a53046hl + + - + + + + Ref ph-695-8-2-buf65 Group Leigh_D
3 19:11:29 20260428-1651-B400_B.11-3 11 H1_Day a53046hl + + - + + + + Ref ph-695-7-3-buf65 Group Leigh_D
43 19:08:09 20260428-1324-B400_B.11-43 13 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 9h
42 19:04:27 20260428-1518-B400_B.11-42 12 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 9h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 18:50:11 20260428-1721-B400_B.11-41 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-th-atli Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 18:45:04 20260428-1721-B400_B.11-41 10 H1_Night h68355ac + + - + + + + Ref djp-oc-th-atli Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 18:30:48 20260428-1720-B400_B.11-40 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-th-sert Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 18:24:58 20260428-1720-B400_B.11-40 10 H1_Night h68355ac + + - + + + + Ref djp-oc-th-sert Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 18:10:43 20260428-1720-B400_B.11-37 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-th-bt Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37 18:05:51 20260428-1720-B400_B.11-37 10 H1_Night h68355ac + + - + + + + Ref djp-oc-th-bt Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 17:51:18 20260428-1719-B400_B.11-36 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-795-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 17:44:56 20260428-1719-B400_B.11-36 10 H1_Night h68355ac + + - + + + + Ref djp-oc-795-ac Group Procter_D
44 17:41:43 20260428-1325-B400_B.11-44 12 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 7h
43 17:38:15 20260428-1324-B400_B.11-43 12 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 7h
42 17:34:34 20260428-1518-B400_B.11-42 11 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 7h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:32:49 20260428-1642-B400_B.11-34 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:26:38 20260428-1642-B400_B.11-34 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 17:25:12 20260428-1642-B400_B.11-33 12 P31_NoCPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 17:22:58 20260428-1642-B400_B.11-33 11 P31_CPD_Day z89001ep - + - - - + + Ref SmI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 17:17:58 20260428-1642-B400_B.11-33 10 H1_Day16 z89001ep + + - + + + + Ref SmI2_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 17:11:48 20260428-1706-B400_B.11-9 10 H1_Day a53046hl + + - + + + + Ref QBB-G50-postwu Group Leigh_D
3 17:08:32 20260428-1651-B400_B.11-3 10 H1_Day a53046hl + + - + + + + Ref ph-695-7-3-buf65 Group Leigh_D
2 17:03:43 20260428-1644-B400_B.11-2 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1118-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 16:59:33 20260428-1629-B400_B.11-60 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-40 F20 Group Riddell_I
59 16:54:47 20260428-1628-B400_B.11-59 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-40 F17 Group Riddell_I
58 16:50:35 20260428-1622-B400_B.11-58 10 H1_Day16 z40241jm + + - + + + + Ref DJP-JIM-8-070-1c/b/check Group Procter_D
57 16:46:14 20260428-1603-B400_B.11-57 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-114 Group Mills_D La(Cptt)3 + CO2 1-2 hrs sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 16:42:56 20260428-1603-B400_B.11-57 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-114 Group Mills_D La(Cptt)3 + CO2 1-2 hrs sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 16:36:47 20260428-1553-B400_B.11-56 10 H1_Day16 p13528bg + + - + + + + Ref BG007b) post wash 2 Group De bo_G
55 16:34:52 20260428-1544-B400_B.11-55 12 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-233 crude acetone Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 16:29:02 20260428-1544-B400_B.11-55 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-233 crude acetone Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
55 16:24:45 20260428-1544-B400_B.11-55 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-233 crude acetone Group De bo_G
54 16:22:49 20260428-1543-B400_B.11-54 12 C13_CPD_Day z40973rs - + - - - + + Ref gdb-rs-232 crude acetone Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 16:16:59 20260428-1543-B400_B.11-54 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-232 crude acetone Group De bo_G mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
54 16:12:12 20260428-1543-B400_B.11-54 10 H1_Day16 z40973rs + + - + + + + Ref gdb-rs-232 crude acetone Group De bo_G
51 16:06:29 20260428-1537-B400_B.11-51 10 H1_Day z16689fe + + - + + + + Ref DJP FE 405 Group Procter_D COLUMNED sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 16:01:23 20260428-1533-B400_B.11-50 10 H1_Day h32367lm + + - + + + + Ref cdcl3 Group Leigh_D
49 15:56:56 20260428-1533-B400_B.11-49 10 H1_Day h32367lm + + - + + + + Ref DMAc Group Leigh_D
48 15:52:46 20260428-1521-B400_B.11-48 10 H1_Day a53046hl + + - + + + + Ref djt09-88 Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 15:43:08 20260428-1502-B400_B.11-47 1470401 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1470401 Group Abbenseth_J SiRi147 SbCyNNN NaBArF Iodobenzene 595 1 week THF vacuo DCM
45 15:37:49 20260428-1520-B400_B.11-45 10 H1_Day a53046hl + + - + + + + Ref ph-693-dep-tlc Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 15:34:35 20260428-1325-B400_B.11-44 11 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 5h
43 15:31:16 20260428-1324-B400_B.11-43 11 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 5h
42 15:27:39 20260428-1518-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 5h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 15:22:31 20260428-1510-B400_B.11-41 10 H1_Day j65215tk + + - + + + + Ref TGK-1018-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 15:18:32 20260428-1505-B400_B.11-40 10 H1_Day z88883sp + + - + + + + Ref SP423g Group Romanov_A Ether insoluble
39 15:02:59 20260428-1312-B400_B.11-39 15 H1_COSY_HiRes_Night a76294rm + + - + + + + Ref REM-SctolSC Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
42 14:58:31 20260428-1437-B400_B.11-42 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-40 C2 F21 Group Riddell_I
41 14:54:43 20260428-1437-B400_B.11-41 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-40 C2 F16 Group Riddell_I
40 14:50:21 20260428-1434-B400_B.11-40 11 C13_DEPTQ_Day v97511sv - + - - - + + Ref DPM-SV-114 Group Mills_D SV-111B + CO2 10 mins sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 14:47:16 20260428-1434-B400_B.11-40 10 H1_Day v97511sv + + - + + + + Ref DPM-SV-114 Group Mills_D SV-111B + CO2 10 mins sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 14:33:00 20260428-1312-B400_B.11-39 14 C13_CPD_Night256 a76294rm - + - - - + + Ref REM-SctolSC Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 14:27:38 20260428-1312-B400_B.11-39 11 H1_Night a76294rm + + - + + + + Ref REM-SctolSC Group Goodwin_C
28 14:25:02 20260428-1035-B400_B.11-28 13 C13_CPD_Day w16692pj - + - - - + + Ref La2Nac2Tol_C6D6 after 126h Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 14:20:53 20260428-1035-B400_B.11-28 12 H1_Day w16692pj + + - + x + + Ref La2Nac2Tol_C6D6 after 126h Group Winpenny_R topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 14:17:36 20260428-1340-B400_B.11-53 10 H1_Day k56390qs + + - x - - - Ref 1013C Group Schroder_M Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is OFF, Command 'lock CDCl3' failed. Lock is OFF
52 14:14:21 20260428-1340-B400_B.11-52 10 H1_Day k56390qs - - - - - - - Ref 1013B Group Schroder_M
51 14:13:03 20260428-1340-B400_B.11-51 11 H1_Day k56390qs - + - - - + + Ref 1013A Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 14:08:48 20260428-1340-B400_B.11-51 10 H1_Day k56390qs + + - + + + + Ref 1013A Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 14:03:44 20260422-1523-B400_B.11-46 11 H1_Day16 k03582jd + + - + + + + Ref JDR136 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 13:58:03 20260428-1343-B400_B.11-45 10 H1_Day16 p13528bg + + - + + + + Ref BG007b) post wash Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 13:54:55 20260428-1325-B400_B.11-44 10 H1_Day a53046hl + + - + + + + Ref ph-685-7-3-buff65-fuel Group Leigh_D 3h
43 13:51:34 20260428-1324-B400_B.11-43 10 H1_Day a53046hl + + - + + + + Ref ph-681-7-3-buff65-fuel Group Leigh_D 3h
42 13:47:04 20260428-1323-B400_B.11-42 10 H1_Day a53046hl + + - + + + + Ref ph-694-7-3-buff65-fuel Group Leigh_D 3h sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 13:43:12 20260428-1314-B400_B.11-41 10 H1_Day p13528bg + + - + + + + Ref BG003j) Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40 13:39:01 20260428-1314-B400_B.11-40 10 H1_Day16 p13528bg + + - + + + + Ref BG015a) 16h crude Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 13:34:43 20260428-1312-B400_B.11-39 10 H1_Day16 a76294rm + + - + + + + Ref REM-SctolSC Group Goodwin_C
37 13:30:13 20260428-1310-B400_B.11-37 1440101 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1440101 Group Abbenseth_J SiRi144 finished ligand in THF BH4 1 week sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 13:28:22 20260428-1307-B400_B.11-36 1490202 F19_NoCPD_Day w05220ss - + - - - + + Ref JA-SiRi-I-1490201 Group Abbenseth_J SiRi149 SbCyNNN IodobenzeneCF3 in benzene no BArF log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
36 13:25:19 20260428-1307-B400_B.11-36 1490201 H1_Day w05220ss + + - + + + + Ref JA-SiRi-I-1490201 Group Abbenseth_J SiRi149 SbCyNNN IodobenzeneCF3 in benzene no BArF sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 13:23:53 20260428-1259-B400_B.11-35 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YI3_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 13:22:08 20260428-1259-B400_B.11-35 11 P31_CPD_Day z89001ep - + - - - + + Ref YI3_BIPP(iPr)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 13:17:45 20260428-1259-B400_B.11-35 10 H1_Day16 z89001ep + + - + + + + Ref YI3_BIPP(iPr)_EP Group Mills_D
34 13:16:18 20260428-1259-B400_B.11-34 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YI3_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 13:14:34 20260428-1259-B400_B.11-34 11 P31_CPD_Day z89001ep - + - - - + + Ref YI3_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 13:10:25 20260428-1259-B400_B.11-34 10 H1_Day16 z89001ep + + - + + + + Ref YI3_BIPP(Mes)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 13:08:59 20260428-1258-B400_B.11-33 12 P31_NoCPD_Day z89001ep - + - - - + + Ref YI3_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 13:06:57 20260428-1258-B400_B.11-33 11 P31_CPD_Day z89001ep - + - - - + + Ref YI3_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 13:02:24 20260428-1258-B400_B.11-33 10 H1_Day16 z89001ep + + - + + + + Ref YI3_BIPP(Ph)_EP Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 12:59:09 20260428-1233-B400_B.11-31 10 H1_Day a53046hl + + - + + + + Ref QBB-G50-24hrs Group Leigh_D
30 12:55:59 20260428-1231-B400_B.11-30 10 H1_Day z16689fe + + - + + + + Ref DJP FE 404 Group Procter_D SECOND COLUMN sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 12:54:04 20260426-2347-B400_B.11-29 16 F19_NoCPD_Day k03582jd - + - - - + + Ref JDR137wash Group Procter_D log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
29 12:48:20 20260426-2347-B400_B.11-29 15 H1_Day16 k03582jd + + - + + + + Ref JDR137wash Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 12:46:25 20260428-1035-B400_B.11-28 11 C13_CPD_Day w16692pj - + - - - + + Ref La2Nac2Tol_C6D6 after 126h Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 12:41:57 20260428-1035-B400_B.11-28 10 H1_Day w16692pj + + - + + + + Ref La2Nac2Tol_C6D6 after 126h Group Winpenny_R sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 12:36:49 20260428-1229-B400_B.11-27 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-767-(a)-col Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 12:34:05 20260428-1226-B400_B.11-26 11 C13_CPD_Day g16660ml - + - - - + + Ref djp-muze-3-cl-substrate- Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 12:29:24 20260428-1226-B400_B.11-26 10 H1_Day16 g16660ml + + - + + + + Ref djp-muze-3-cl-substrate- Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 12:27:28 20260428-1216-B400_B.11-25 11 F19_NoCPD_Day e72206ov - + - - - + + Ref ov-017/18-b ? resid in vial Group De bo_G log_err: acqt0 not set in pulse program, result may be incorrect!, log_err: acqt0 not set in pulse program, result may be incorrect!, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
25 12:23:13 20260428-1216-B400_B.11-25 10 H1_Day e72206ov + + - + + + + Ref ov-017/18-b ? resid in vial Group De bo_G
23 12:16:02 20260428-0948-B400_B.11-23 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 202604 Cu one pot to MOF -1.4v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 10:30:43 20260428-0948-B400_B.11-22 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 202604 Cu one pot to MOF -1.3v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 10:26:00 20260428-1015-B400_B.11-18 10 H1_Day16 b50715cd + + - + + + + Ref CD215 Group Goodwin_C CD215 - CdCl3 - 1H
17 10:19:26 20260428-0948-B400_B.11-17 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 202604 Cu one pot to MOF -1.2v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 10:12:20 20260428-0948-B400_B.11-16 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 202604 Cu one pot to MOF -1.1v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 10:04:21 20260428-0948-B400_B.11-15 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 202604 Cu one pot to MOF -1.0v Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 10:01:02 20260428-0936-B400_B.11-14 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-813-(b) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 09:57:21 20260428-0936-B400_B.11-12 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-813-(a) Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 09:53:50 20260428-0935-B400_B.11-11 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-812-crude Group Greaney_M
10 09:49:28 20260428-0931-B400_B.11-8 30 H1_Day16 p10102hz + + - + + + + Ref zhb-a-149d Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 09:45:03 20260428-0931-B400_B.11-8 20 H1_Day16 p10102hz + + - + + + + Ref zhb-a-149c Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 09:40:29 20260428-0931-B400_B.11-8 10 H1_Day16 p10102hz + + - + + + + Ref zhb-a-149b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 09:35:28 20260422-0730-B400_B.11-7 12 H1_Day16 p10102hz + + - + + + + Ref zhb-a-149a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 09:33:00 20260428-0906-B400_B.11-3 11 B11_CPD_Day b78349dw - + - - - + + Ref DW01_064B Group Willcox_D sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/b78349dw/nmr/20260428-0906-B400_B.11-3/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/b78349dw/nmr/20260428-0906-B400_B.11-3/11/pdata/1/peaks!
3 09:29:02 20260428-0906-B400_B.11-3 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_064B Group Willcox_D
2 09:16:19 20260428-0850-B400_B.11-2 10 H1_Quant_D1_25s_Day mbdxrjr4 + + - + + + + Ref MFG-JR-111 Group Greaney_M
1 09:00:01 20260420-1033-B400_B.11-1 17 H1_make_shim.icon service + + - + + + + Ref sucrose shm Group Service sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 08:10:39 20260428-0810-B400_B.11-31 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-40 F19 Group Riddell_I
26 04:24:46 20260427-2130-B400_B.11-26 10 H1_Day16 j83970qc + + - + + + + Ref qc e822 p1 Group De bo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 04:18:39 20260427-1319-B400_B.11-19 11 H1_WaterSupp_Day m56482jm + + - + + + + Ref JAM306 Group Cobb_S
18 04:12:31 20260427-1254-B400_B.11-18 13 H1_WaterSupp_Day m56482jm + + - + + + + Ref JAM305 Group Cobb_S
17 04:05:58 20260427-1254-B400_B.11-17 13 H1_WaterSupp_Day m56482jm + + - + + + + Ref JAM304 Group Cobb_S
16 03:59:12 20260427-1528-B400_B.11-16 11 H1_WaterSupp_Day m56482jm + + - + + + + Ref JAM303 Group Cobb_S
3 03:05:26 20260427-1721-B400_B.11-3 11 C13_CPD_Night1024 g16660ml - + - - - + + Ref djp-muze Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3 02:50:56 20260427-1721-B400_B.11-3 10 H1_Night128 g16660ml + + - + + + + Ref djp-muze Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 02:15:47 20260427-1715-B400_B.11-2 14 H1_C13_HMBC_Night a53046hl - + - - - + + Ref QBB-G44-fullchar Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 02:00:25 20260427-1715-B400_B.11-2 13 H1_C13_HSQC_Night a53046hl - + - - - + + Ref QBB-G44-fullchar Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 01:46:56 20260427-1715-B400_B.11-2 12 H1_COSY_HiRes_Night a53046hl - + - - - + + Ref QBB-G44-fullchar Group Leigh_D mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
2 01:32:40 20260427-1715-B400_B.11-2 11 C13_CPD_Night256 a53046hl - + - - - + + Ref QBB-G44-fullchar Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 01:27:35 20260427-1715-B400_B.11-2 10 H1_Night a53046hl + + - + + + + Ref QBB-G44-fullchar Group Leigh_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 00:52:26 20260427-1632-B400_B.11-30 14 H1_C13_HMBC_Night j65215tk - + - - - + + Ref TGK-1019-1 Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 00:37:02 20260427-1632-B400_B.11-30 13 H1_C13_HSQC_Night j65215tk - + - - - + + Ref TGK-1019-1 Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 00:23:34 20260427-1632-B400_B.11-30 12 H1_COSY_HiRes_Night j65215tk - + - - - + + Ref TGK-1019-1 Group Trowbridge_A mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false
30 00:09:18 20260427-1632-B400_B.11-30 11 C13_CPD_Night256 j65215tk - + - - - + + Ref TGK-1019-1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 00:04:25 20260427-1632-B400_B.11-30 10 H1_Night j65215tk + + - + + + + Ref TGK-1019-1 Group Trowbridge_A
25 23:29:16 20260427-1552-B400_B.11-25 15 H1_C13_HMBC_Night j88755sb - + - - - + + Ref capg-sb036-B Group Goodwin_C mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false, mdd: No license available for TOPSPIN 2D NUS processing processing without appropriate license continues with parameters Mdd_CsALG = ist, Mdd_CsVE = false