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IconNMR Automation Run Status:
Day Experiments: 00:51
Busy Until: Fri 17:44
Night Experiments: 14:45

Setup List
Holder Status Name ExpNo Experiment User Time Title
1 Completed 20260219-1515-B400_B.12-1 10 n mPROTONnight proton night service 00:01:20 Ref RL-MJA_119511_R Group Service
1 Completed 20260219-1515-B400_B.12-1 11 n mP31night Phosphorus with no decoupling night expt service 00:11:01 Ref RL-MJA_119511_R Group Service
1 Completed 20260219-1515-B400_B.12-1 12 n mF19night Fluorine with no decoupling night expt service 00:00:35 Ref RL-MJA_119511_R Group Service
1 Completed 20260219-1515-B400_B.12-1 13 N mLi7 7 Lithium service 00:01:24 Ref RL-MJA_119511_R Group Service
1 Running 20260219-1515-B400_B.12-1 14 n mCOSYgnight service 00:16:12 Ref RL-MJA_119511_R Group Service
1 Submitted 20260219-1515-B400_B.12-1 15 n mCARBONnight service 00:29:21 Ref RL-MJA_119511_R Group Service
1 Submitted 20260219-1515-B400_B.12-1 16 n mHSQCnight service 00:13:49 Ref RL-MJA_119511_R Group Service
2 Submitted 20260219-1515-B400_B.12-2 10 n mPROTONnight proton night service 00:01:20 Ref RL-MJA_119511_0ppm Group Service
2 Submitted 20260219-1515-B400_B.12-2 11 n mP31night Phosphorus with no decoupling night expt service 00:11:01 Ref RL-MJA_119511_0ppm Group Service
2 Submitted 20260219-1515-B400_B.12-2 12 n mF19night Fluorine with no decoupling night expt service 00:00:35 Ref RL-MJA_119511_0ppm Group Service
2 Submitted 20260219-1515-B400_B.12-2 13 N mLi7 7 Lithium service 00:01:24 Ref RL-MJA_119511_0ppm Group Service
2 Submitted 20260219-1515-B400_B.12-2 14 n mCOSYgnight service 00:16:12 Ref RL-MJA_119511_0ppm Group Service
2 Submitted 20260219-1515-B400_B.12-2 15 n mCARBONnight service 00:29:21 Ref RL-MJA_119511_0ppm Group Service
2 Submitted 20260219-1515-B400_B.12-2 16 n mHSQCnight service 00:13:49 Ref RL-MJA_119511_0ppm Group Service
3 Submitted 20260219-1515-B400_B.12-3 10 n mPROTONnight proton night service 00:01:20 Ref RL-MJA_119511_1K Group Service
3 Submitted 20260219-1515-B400_B.12-3 11 n mP31night Phosphorus with no decoupling night expt service 00:11:01 Ref RL-MJA_119511_1K Group Service
3 Submitted 20260219-1515-B400_B.12-3 12 n mF19night Fluorine with no decoupling night expt service 00:00:35 Ref RL-MJA_119511_1K Group Service
3 Submitted 20260219-1515-B400_B.12-3 13 N mLi7 7 Lithium service 00:01:24 Ref RL-MJA_119511_1K Group Service
3 Submitted 20260219-1515-B400_B.12-3 14 n mCOSYgnight service 00:16:12 Ref RL-MJA_119511_1K Group Service
3 Submitted 20260219-1515-B400_B.12-3 15 n mCARBONnight service 00:29:21 Ref RL-MJA_119511_1K Group Service
3 Submitted 20260219-1515-B400_B.12-3 16 n mHSQCnight service 00:13:49 Ref RL-MJA_119511_1K Group Service
4 Submitted 20260219-1545-B400_B.14-4 11 n H1_Quant_d1_56s_Night m56482jm 00:18:02 Ref JAM401 Group Cobb_S
5 Submitted 20260219-1546-B400_B.14-5 11 n H1_Quant_d1_56s_Night m56482jm 00:18:02 Ref JAM402 Group Cobb_S
6 Submitted 20260219-1548-B400_B.14-6 11 n H1_Quant_d1_56s_Night m56482jm 00:18:02 Ref JAM403 Group Cobb_S
7 Submitted 20260219-1548-B400_B.14-7 11 c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec m56482jm 00:18:02 Ref JAM404 Group Cobb_S
8 Submitted 20260219-1551-B400_B.14-8 11 n H1_Quant_d1_56s_Night m56482jm 00:18:02 Ref JAM405 Group Cobb_S
9 Submitted 20260219-1551-B400_B.14-9 11 n H1_Quant_d1_56s_Night m56482jm 00:18:02 Ref JAM406 Group Cobb_S
10 Submitted 20260219-1552-B400_B.14-10 11 n H1_Quant_d1_56s_Night m56482jm 00:18:02 Ref JAM407 Group Cobb_S
11 Submitted 20260219-1826-B400_B.14-11 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec z88883sp 00:01:21 Ref SP409 Group Romanov_A
12 Submitted 20260219-1811-B400_B.14-12 11 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec v73981ac 00:13:16 Ref LC15.2 Group Larrosa_I
13 Submitted 20260219-2100-B400_B.14-13 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL-SD-180 Group Larrosa_I
13 Submitted 20260219-2100-B400_B.14-13 11 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec d93111sd 00:03:14 Ref IL-SD-180 Group Larrosa_I
14 Submitted 20260219-2100-B400_B.14-14 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL-SD-181 Group Larrosa_I
14 Submitted 20260219-2100-B400_B.14-14 11 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec d93111sd 00:03:14 Ref IL-SD-181 Group Larrosa_I
15 Submitted 20260219-2100-B400_B.14-15 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL-SD-182 Group Larrosa_I
15 Submitted 20260219-2100-B400_B.14-15 11 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec d93111sd 00:03:14 Ref IL-SD-182 Group Larrosa_I
16 Error 20260217-1135-B400_B.14-16 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec v73981ac 00:01:21 Ref LC15 Group Larrosa_I
16 Error 20260217-1135-B400_B.14-16 11 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec v73981ac 00:13:16 Ref LC15 Group Larrosa_I
16 Submitted 20260217-1135-B400_B.14-16 12 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_12 Group Larrosa_I
17 Submitted 20260219-2105-B400_B.14-17 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_24 Group Larrosa_I
18 Error 20260217-1141-B400_B.14-18 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s v73981ac 00:00:29 Ref ILAC176-p1 Group Larrosa_I
18 Submitted 20260217-1141-B400_B.14-18 11 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_68 Group Larrosa_I
19 Submitted 20260219-2108-B400_B.14-19 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_96 Group Larrosa_I
20 Submitted 20260219-1827-B400_B.14-20 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec z88883sp 00:01:21 Ref SP410a Group Romanov_A Band 1
21 Submitted 20260219-1827-B400_B.14-21 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec z88883sp 00:01:21 Ref SP410b Group Romanov_A Band 2
22 Submitted 20260219-1827-B400_B.14-22 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec z88883sp 00:01:21 Ref SP410c Group Romanov_A Band 3+4
23 Submitted 20260219-2109-B400_B.14-23 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_97 Group Larrosa_I
24 Submitted 20260219-1831-B400_B.14-24 10 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec n04147ed 00:13:16 Ref ED-03-008-01 Group James_M
24 Submitted 20260219-1831-B400_B.14-24 11 n H1_COSY_NS32_Night COSY, ns = 32, sw = 12 ppm, centre (o1p) = 6 ppm, time = 1 hr 16 min 55 sec n04147ed 01:17:50 Ref ED-03-008-01 Group James_M
24 Submitted 20260219-1831-B400_B.14-24 12 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec n04147ed 00:01:21 Ref ED-03-008-01 Group James_M
24 Submitted 20260219-1831-B400_B.14-24 13 c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec n04147ed 00:11:14 Ref ED-03-008-01 Group James_M
24 Submitted 20260219-1831-B400_B.14-24 14 c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec n04147ed 00:17:20 Ref ED-03-008-01 Group James_M
24 Submitted 20260219-1831-B400_B.14-24 15 c H1_NOESY_US_Night NOESY, ns = 4, sw = auto, centre (o1p) = auto, time = 44 min 36 sec n04147ed 00:44:37 Ref ED-03-008-01 Group James_M
25 Submitted 20260219-1832-B400_B.14-25 10 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec n04147ed 00:13:16 Ref ED-03-008-03 Group James_M
25 Submitted 20260219-1832-B400_B.14-25 11 n H1_COSY_NS32_Night COSY, ns = 32, sw = 12 ppm, centre (o1p) = 6 ppm, time = 1 hr 16 min 55 sec n04147ed 01:17:50 Ref ED-03-008-03 Group James_M
25 Submitted 20260219-1832-B400_B.14-25 12 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec n04147ed 00:01:21 Ref ED-03-008-03 Group James_M
25 Submitted 20260219-1832-B400_B.14-25 13 c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec n04147ed 00:11:14 Ref ED-03-008-03 Group James_M
25 Submitted 20260219-1832-B400_B.14-25 14 c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec n04147ed 00:17:20 Ref ED-03-008-03 Group James_M
25 Submitted 20260219-1832-B400_B.14-25 15 c H1_NOESY_US_Night NOESY, ns = 4, sw = auto, centre (o1p) = auto, time = 44 min 36 sec n04147ed 00:44:37 Ref ED-03-008-03 Group James_M
26 Submitted 20260219-1641-B400_B.14-26 11 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec e02956op 00:13:16 Ref GDB-OP0440A-13C_CDCl3 Group DeBo_G
27 Submitted 20260219-2110-B400_B.14-27 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_119 Group Larrosa_I
28 Submitted 20260219-2123-B400_B.14-28 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_f3mes Group Larrosa_I
29 Submitted 20260219-1912-B400_B.14-29 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec v73981ac 00:01:21 Ref ILAC176-pure Group Larrosa_I
29 Submitted 20260219-1912-B400_B.14-29 11 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec v73981ac 00:13:16 Ref ILAC176-pure Group Larrosa_I
30 Submitted 20260219-2047-B400_B.14-30 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec h91839em 00:01:21 Ref gc em 271 c Group Crisenza_G
31 Submitted 20260219-2113-B400_B.14-31 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_130 Group Larrosa_I
32 Submitted 20260219-2113-B400_B.14-32 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_137 Group Larrosa_I
33 Completed 20260219-1203-B400_B.14-33 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec a74776dr 00:01:21 Ref nhc 2nd Group Procter_D
33 Completed 20260219-1203-B400_B.14-33 11 c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec a74776dr 00:11:14 Ref nhc 2nd Group Procter_D
33 Completed 20260219-1203-B400_B.14-33 12 c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec a74776dr 00:17:20 Ref nhc 2nd Group Procter_D
34 Submitted 20260219-1653-B400_B.14-34 10 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec w12998gm 00:03:14 Ref il-gm-10-014-c-crude Group Larrosa_I
35 Submitted 20260219-1646-B400_B.14-35 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-931-001-rm Group James_M
35 Submitted 20260219-1646-B400_B.14-35 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-931-001-rm Group James_M
36 Submitted 20260219-1646-B400_B.14-36 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-932-001-rm Group James_M
36 Submitted 20260219-1646-B400_B.14-36 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-932-001-rm Group James_M
37 Submitted 20260219-1646-B400_B.14-37 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-933-001-rm Group James_M
37 Submitted 20260219-1646-B400_B.14-37 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-933-001-rm Group James_M
38 Submitted 20260219-1701-B400_B.14-38 10 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec y83900an 00:03:14 Ref IL-AMN-05-156-CRM Group Larrosa_I
39 Submitted 20260219-1703-B400_B.14-39 10 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec y83900an 00:03:14 Ref IL-AMN-05-157-CRM Group Larrosa_I
40 Submitted 20260219-1704-B400_B.14-40 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s y83900an 00:00:29 Ref IL-AMN-05-146-CRM Group Larrosa_I
41 Submitted 20260219-1648-B400_B.14-41 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-934-001-rm Group James_M
41 Submitted 20260219-1648-B400_B.14-41 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-934-001-rm Group James_M
42 Submitted 20260219-1648-B400_B.14-42 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-935-001-rm Group James_M
42 Submitted 20260219-1648-B400_B.14-42 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-935-001-rm Group James_M
43 Submitted 20260219-1648-B400_B.14-43 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-936-001-rm Group James_M
43 Submitted 20260219-1648-B400_B.14-43 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-936-001-rm Group James_M
44 Submitted 20260219-1653-B400_B.14-44 10 N F19_Quant_D1_8s_Day Fluorine, ns = 8, sw = 237 ppm, centre (o1p) = -100 ppm, time = 5 min 30 sec, d1 = 8 sec w12998gm 00:03:14 Ref il-gm-10-014-d-crude Group Larrosa_I
45 Submitted 20260219-1705-B400_B.14-45 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s y83900an 00:00:29 Ref IL-AMN-05-147-CRM Group Larrosa_I
46 Submitted 20260219-1707-B400_B.14-46 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s y83900an 00:00:29 Ref IL-AMN-05-148-CRM Group Larrosa_I
47 Submitted 20260219-1648-B400_B.14-47 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec c46714th 00:01:21 Ref TH-937-001-rm Group James_M
47 Submitted 20260219-1648-B400_B.14-47 11 N F19_NoCPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec c46714th 00:00:50 Ref TH-937-001-rm Group James_M
48 Submitted 20260219-1736-B400_B.14-48 15 n H1_COSY_HiRes_Night COSY, ns = 1, sw = 12 ppm, centre (o1p) = 6 ppm, time = 31 min 2 sec y83620jc 00:11:02 Ref ja-jc-d5-full Group Other
49 Submitted 20260219-1742-B400_B.14-49 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec g16660ml 00:01:21 Ref djp-muze Group Procter_D
50 Submitted 20260219-2116-B400_B.14-50 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_144 Group Larrosa_I
51 Submitted 20260219-2116-B400_B.14-51 11 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_mtbu Group Larrosa_I
52 Submitted 20260219-2116-B400_B.14-52 11 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_so2ph Group Larrosa_I
53 Submitted 20260219-2116-B400_B.14-53 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_cynh2 Group Larrosa_I
54 Submitted 20260219-1849-B400_B.14-54 10 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec n04147ed 00:13:16 Ref ED-03-008-02 Group James_M
54 Submitted 20260219-1849-B400_B.14-54 11 n H1_COSY_NS32_Night COSY, ns = 32, sw = 12 ppm, centre (o1p) = 6 ppm, time = 1 hr 16 min 55 sec n04147ed 01:17:50 Ref ED-03-008-02 Group James_M
54 Submitted 20260219-1849-B400_B.14-54 12 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec n04147ed 00:01:21 Ref ED-03-008-02 Group James_M
54 Submitted 20260219-1849-B400_B.14-54 13 c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec n04147ed 00:11:14 Ref ED-03-008-02 Group James_M
54 Submitted 20260219-1849-B400_B.14-54 14 c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec n04147ed 00:17:20 Ref ED-03-008-02 Group James_M
54 Submitted 20260219-1849-B400_B.14-54 15 c H1_NOESY_US_Night NOESY, ns = 4, sw = auto, centre (o1p) = auto, time = 44 min 36 sec n04147ed 00:44:37 Ref ED-03-008-02 Group James_M
55 Submitted 20260219-2116-B400_B.14-54 11 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_5f Group Larrosa_I
56 Submitted 20260219-2116-B400_B.14-55 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_diome Group Larrosa_I
57 Submitted 20260219-2122-B400_B.14-57 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s d93111sd 00:00:29 Ref IL_SD_fmes Group Larrosa_I
58 Submitted 20260219-2001-B400_B.14-58 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec m52750pm 00:01:21 Ref GC_TW_silane Group Crisenza_G
59 Error 20260219-0911-B400_B.14-59 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec e66390fk 00:01:21 Ref fk6s Group Gardiner_J
60 Error 20260217-1528-B400_B.14-60 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec e66390fk 00:01:21 Ref fk6s Group Gardiner_J
History List
Holder Time Name ExpNo Experiment User Load Atma Spin Lock Shim Acq Proc Title Remarks
1 22:15:33 20260219-1515-B400_B.12-1 14 mCOSYgnight service - + - - - - - Ref RL-MJA_119511_R Group Service
1 22:11:56 20260219-1515-B400_B.12-1 13 mLi7 service - + - - - + + Ref RL-MJA_119511_R Group Service sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Service/data/service/nmr/20260219-1515-B400_B.12-1/13/pdata/1/peaks!, sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Service/data/service/nmr/20260219-1515-B400_B.12-1/13/pdata/1/peaks!
1 22:10:30 20260219-1515-B400_B.12-1 12 mF19night service - + - - - + + Ref RL-MJA_119511_R Group Service 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
1 21:57:23 20260219-1515-B400_B.12-1 11 mP31night service - + - - - + + Ref RL-MJA_119511_R Group Service sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Service/data/service/nmr/20260219-1515-B400_B.12-1/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Service/data/service/nmr/20260219-1515-B400_B.12-1/11/pdata/1/peaks!
1 21:52:59 20260219-1515-B400_B.12-1 10 mPROTONnight service + + - + + + + Ref RL-MJA_119511_R Group Service
33 21:34:35 20260219-1203-B400_B.14-33 12 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref nhc 2nd Group Procter_D
33 21:22:08 20260219-1203-B400_B.14-33 11 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref nhc 2nd Group Procter_D
33 21:16:57 20260219-1203-B400_B.14-33 10 H1_Night a74776dr + + - + + + + Ref nhc 2nd Group Procter_D
28 20:58:33 20260219-1123-B400_B.14-28 15 H1_C13_HMBC_US_Night p69237rb - + - - - + + Ref GC RBP17A2 Group Crisenza_G
28 20:46:14 20260219-1123-B400_B.14-28 14 H1_C13_HSQC_US_Night p69237rb - + - - - + + Ref GC RBP17A2 Group Crisenza_G
28 20:44:03 20260219-1123-B400_B.14-28 13 H1_Night p69237rb - + - - - + + Ref GC RBP17A2 Group Crisenza_G
28 20:37:39 20260219-1123-B400_B.14-28 12 H1_Quant_Night p69237rb - + - - - + + Ref GC RBP17A2 Group Crisenza_G
28 20:20:48 20260219-1123-B400_B.14-28 11 C13_CPD_Night256 p69237rb + + - + + + + Ref GC RBP17A2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 19:55:47 20260219-1059-B400_B.14-53 10 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-03 Group Cobb_S
52 19:31:23 20260219-1059-B400_B.14-52 10 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-02 Group Cobb_S
51 19:06:05 20260219-1059-B400_B.14-51 10 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-01 Group Cobb_S
27 18:51:09 20260219-1836-B400_B.14-27 11 C13_CPD_Night256 q62112nk - + - - - + + Ref djp-nk-296-re 2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 18:46:03 20260219-1836-B400_B.14-27 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296-re 2 Group Procter_D
23 18:42:07 20260219-1831-B400_B.14-23 10 H1_Quant_NS1_Day n04147ed + + - + + + + Ref ED-03-010-x Group James_M
19 18:36:54 20260219-1751-B400_B.14-19 10 H1_Day k03582jd + + - + + + + Ref JDR50 Group Procter_D
17 18:31:59 20260219-1751-B400_B.14-17 10 H1_Day k03582jd + + - + + + + Ref JDR49 Group Procter_D
15 18:27:20 20260219-1750-B400_B.14-15 10 H1_Day k03582jd + + - + + + + Ref JDR48 Group Procter_D
13 18:23:53 20260219-1811-B400_B.14-13 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC17 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/20260219-1811-B400_B.14-13/10/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/20260219-1811-B400_B.14-13/10/pdata/1/peaks!
12 18:19:21 20260219-1811-B400_B.14-12 10 H1_Day v73981ac + + - + + + + Ref LC15.2 Group Larrosa_I
11 18:14:55 20260219-1650-B400_B.14-11 10 H1_Day v73981ac + + - + + + + Ref IL-PS259 Group Larrosa_I IL-PS259
58 18:04:58 20260219-1749-B400_B.14-58 10 H1_Day k03582jd + + - + x + + Ref JDR53 Group Procter_D topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
57 18:00:29 20260219-1749-B400_B.14-57 10 H1_Day k03582jd + + - + + + + Ref JDR52 Group Procter_D
56 17:55:22 20260219-1748-B400_B.14-56 10 H1_Day k03582jd + + - + + + + Ref JDR51 Group Procter_D
55 17:50:42 20260219-1747-B400_B.14-55 10 H1_Day f09303eg + + - + + + + Ref dte33 Group Webb_S
54 17:45:57 20260219-1745-B400_B.14-54 10 H1_Day r25963ar + + - + + + + Ref D2O distilled Group Romanov_A D2O distilled
32 17:38:29 20260219-1653-B400_B.14-32 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-014-b-crude Group Larrosa_I 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 17:31:05 20260219-1652-B400_B.14-31 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-014-a-crude Group Larrosa_I 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 17:29:06 20260219-1644-B400_B.14-30 11 F19_NoCPD_Day c46714th - + - - - + + Ref Th-930-001-rm Group James_M 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 17:24:38 20260219-1644-B400_B.14-30 10 H1_Day c46714th + + - + + + + Ref Th-930-001-rm Group James_M
29 17:22:43 20260219-1644-B400_B.14-29 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-929-001-rm Group James_M 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 17:18:10 20260219-1644-B400_B.14-29 10 H1_Day c46714th + + - + + + + Ref TH-929-001-rm Group James_M
27 17:15:55 20260219-1644-B400_B.14-27 11 F19_NoCPD_Day c46714th - + - - - + + Ref Th-928-001-rm Group James_M 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 17:11:17 20260219-1644-B400_B.14-27 10 H1_Day c46714th + + - + + + + Ref Th-928-001-rm Group James_M
26 17:05:57 20260219-1641-B400_B.14-26 10 H1_Day e02956op + + - + + + + Ref GDB-OP0440A-1H_CDCl3 Group DeBo_G
25 17:03:20 20260219-1639-B400_B.14-25 13 P31_CPD_Day f25045cc - + - - - + + Ref cjc-dw-13-sm-KB(C6F5)4 Group Willcox_D sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/f25045cc/nmr/20260219-1639-B400_B.14-25/13/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/Willcox_D/data/f25045cc/nmr/20260219-1639-B400_B.14-25/13/pdata/1/peaks!
25 17:01:03 20260219-1639-B400_B.14-25 12 H1_Day f25045cc - + - - - + + Ref cjc-dw-13-sm-KB(C6F5)4 Group Willcox_D
25 16:57:27 20260219-1639-B400_B.14-25 11 B11_CPD_Day f25045cc - + - - - + + Ref cjc-dw-13-sm-KB(C6F5)4 Group Willcox_D 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/Willcox_D/data/f25045cc/nmr/20260219-1639-B400_B.14-25/11/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/Willcox_D/data/f25045cc/nmr/20260219-1639-B400_B.14-25/11/pdata/1/peaks!
25 16:51:20 20260219-1639-B400_B.14-25 10 F19_CPD_Day f25045cc + + - + + + + Ref cjc-dw-13-sm-KB(C6F5)4 Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24 16:46:25 20260219-1626-B400_B.14-24 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-724-iso Group Trowbridge_A
23 16:43:24 20260219-1618-B400_B.14-23 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-24 pp1 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
23 16:38:22 20260219-1618-B400_B.14-23 10 H1_Day c62220rg + + - + + + + Ref nk 1-24 pp1 Group Trowbridge_A
22 16:33:50 20260219-1553-B400_B.14-22 10 H1_Day b37463mo + + - + + + + Ref MOR-99-g Group Shaver_M
21 16:29:37 20260219-1553-B400_B.14-21 10 H1_Day b37463mo + + - + + + + Ref MOR-99-f Group Shaver_M
20 16:25:20 20260219-1553-B400_B.14-20 10 H1_Day b37463mo + + - + + + + Ref MOR-99-e Group Shaver_M
10 16:21:10 20260219-1552-B400_B.14-10 10 H1_Day b37463mo + + - + + + + Ref MOR-99-d Group Shaver_M
9 16:16:44 20260219-1551-B400_B.14-9 10 H1_Day b37463mo + + - + + + + Ref MOR-99-c Group Shaver_M
8 16:12:33 20260219-1551-B400_B.14-8 10 H1_Day b37463mo + + - + + + + Ref MOR-99-b Group Shaver_M
7 16:07:51 20260219-1548-B400_B.14-7 10 H1_Day b37463mo + + - + + + + Ref MOR-100 B Group Shaver_M
6 16:03:01 20260219-1548-B400_B.14-6 10 H1_Day b37463mo + + - + + + + Ref MOR-100 A Group Shaver_M
5 15:58:44 20260219-1546-B400_B.14-5 10 H1_Day h79891cs + + - + + + + Ref CS_CO2TMPTGE_5 Group Shaver_M CO2 cycloaddition to TMPTGE 9 hr
4 15:53:43 20260219-1545-B400_B.14-4 10 H1_Day h79891cs + + - + + + + Ref CS_CO2TMPTGE_4 Group Shaver_M CO2 cycloaddition to TMPTGE 7 hr
58 15:48:52 20260219-1539-B400_B.14-58 10 H1_Day h91839em + + - + + + + Ref gc em 270 c Group Crisenza_G
57 15:44:03 20260219-1530-B400_B.14-57 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-23 F27 Group Riddell_I
56 15:39:26 20260219-1529-B400_B.14-56 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-23 F11 Group Riddell_I
55 15:35:18 20260219-1521-B400_B.14-55 10 H1_Day c37930an + + - + + + + Ref GM33B Group Liddle_S Reaction 2 - ThCl4(DME)2
54 15:30:44 20260219-1513-B400_B.14-54 10 H1_Day r25963ar + + - + + + + Ref RTP1 crude Group Romanov_A RTP1 crude
50 15:26:14 20260219-1513-B400_B.14-50 10 H1_Day r25963ar + + - + + + + Ref Suzuki fraction2 Group Romanov_A Suzuki fraction2
49 15:21:43 20260219-1512-B400_B.14-49 10 H1_Day r25963ar + + - + + + + Ref Suzuki fraction1 Group Romanov_A Suzuki fraction1
48 15:17:26 20260219-1509-B400_B.14-48 10 H1_Day k48162ck + + - + + + + Ref pynhc-au-tbuL10 Group Romanov_A
47 15:12:49 20260219-1232-B400_B.14-47 11 H1_Day j20588jh + + - + + + + Ref JH-DW-26.08.17 - DippZnAlCl TMSN3 Group Willcox_D Recrys
46 15:08:10 20260219-1232-B400_B.14-46 11 F19_CPD_Day f25045cc + + - + + + + Ref cjc-dw-2h-forgot_F Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
45 15:03:36 20260219-1456-B400_B.14-45 10 H1_Day j40457bh + + - + + + + Ref bh ah 282 c1 Group Trowbridge_A
44 14:46:45 20260219-1217-B400_B.14-44 12 C13_CPD_Night256 p10102hz + + - + + + + Ref zhb-a-129e Group Procter_D
45 14:41:45 20260219-1434-B400_B.14-45 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-3P Group DeBo_G
43 14:39:34 20260219-1215-B400_B.14-43 15 H1_Day f25045cc - + - - - + + Ref cjc-dw-13-nmrRUN-2h Group Willcox_D
43 14:36:11 20260219-1215-B400_B.14-43 14 B11_CPD_Day f25045cc - + - - - + + Ref cjc-dw-13-nmrRUN-2h Group Willcox_D 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/Willcox_D/data/f25045cc/nmr/20260219-1215-B400_B.14-43/14/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/Willcox_D/data/f25045cc/nmr/20260219-1215-B400_B.14-43/14/pdata/1/peaks!
43 14:31:11 20260219-1215-B400_B.14-43 13 P31_CPD_Day f25045cc + + - + + + + Ref cjc-dw-13-nmrRUN-2h 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
28 14:19:30 20260219-1123-B400_B.14-28 10 C13_DEPT135_Night p69237rb + + - + + + + Ref GC RBP17A2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 14:16:48 20260219-1401-B400_B.14-9 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-23 p1 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 14:11:34 20260219-1401-B400_B.14-9 10 H1_Day c62220rg + + - + + + + Ref nk 1-23 p1 Group Trowbridge_A
8 14:06:48 20260219-1352-B400_B.14-8 10 H1_Day s52134ad + + - + + + + Ref AJD J85 (c) Group Larrosa_I
7 14:02:42 20260219-1351-B400_B.14-7 10 H1_Day y83620jc + + - + + + + Ref ja-jc-d5 Group Other
6 13:58:17 20260219-1350-B400_B.14-6 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-cyclohexagain Group Procter_D
5 13:53:40 20260219-1349-B400_B.14-5 10 H1_Day p69237rb + + - + + + + Ref GC RBP21B Group Crisenza_G
4 13:50:59 20260219-1343-B400_B.14-4 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-34c thf Group Trowbridge_A 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 13:46:54 20260219-1343-B400_B.14-4 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-34c thf Group Trowbridge_A
3 13:40:18 20260219-1328-B400_B.14-3 10 H1_Day h68355ac + + - + + + + Ref djp-oc-927-repeat-is-b Group Procter_D
2 13:36:41 20260219-1325-B400_B.14-2 11 F19_CPD_Day k03582jd - + - - - + + Ref JDR47 Group Procter_D 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 13:32:09 20260219-1325-B400_B.14-2 10 H1_Day k03582jd + + - + + + + Ref JDR47 Group Procter_D
1 13:27:47 20260219-1308-B400_B.14-1 10 H1_Day b30323mh + + - + + + + Ref PVCS5 Group Fielding_L
58 13:23:21 20260219-1317-B400_B.14-58 10 H1_Day c37930an + + - + + + + Ref STL-AN-010_B Group Liddle_S 1H_STL-AN-010_B_NBBr
57 13:19:16 20260219-1316-B400_B.14-57 10 H1_Day c37930an + + - + + + + Ref STL-AN-010_A Group Liddle_S 1H_STL-AN-010_A_NBBr
56 13:14:17 20260219-1252-B400_B.14-56 10 H1_Day w81612cw + + - + + + + Ref Il-CKW-PJ3-185 A column F23-21 Group Mehta_M
55 13:10:04 20260219-1233-B400_B.14-55 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-730-P Group Trowbridge_A
49 13:07:28 20260219-1253-B400_B.14-49 11 H1_Quant_NS1_Day q62112nk - + - - - + + Ref djp-nk-2-py-acid-neutralise Group Procter_D
49 13:03:09 20260219-1253-B400_B.14-49 10 H1_Day q62112nk + + - + + + + Ref djp-nk-2-py-acid-neutralise Group Procter_D
48 12:58:10 20260219-1232-B400_B.14-48 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-729-iso-i) Group Trowbridge_A
47 12:53:26 20260219-1232-B400_B.14-47 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-728-iso Group Trowbridge_A
46 12:48:34 20260219-1232-B400_B.14-46 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-718-CN2 Group Trowbridge_A
45 12:44:58 20260219-1229-B400_B.14-45 12 H1_Wide_Day a49078br - + - - - + + Ref James Gwilliam-Burgess (JGB DW) Group Butterworth_S
45 12:41:57 20260219-1229-B400_B.14-45 11 H1_Day a49078br - + - - - + + Ref James Gwilliam-Burgess (JGB DW) Group Butterworth_S
45 12:38:27 20260219-1229-B400_B.14-45 10 Al27_Day a49078br + + - + + + + Ref James Gwilliam-Burgess (JGB DW) Group Butterworth_S sref: NUCLEUS '27Al' 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/Butterworth_S/data/a49078br/nmr/20260219-1229-B400_B.14-45/10/pdata/1/peaks!, sref: NUCLEUS '27Al' 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/Butterworth_S/data/a49078br/nmr/20260219-1229-B400_B.14-45/10/pdata/1/peaks!
44 12:35:12 20260219-1217-B400_B.14-44 11 F19_CPD_Day p10102hz - + - - - + + Ref zhb-a-129e Group Procter_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44 12:30:43 20260219-1217-B400_B.14-44 10 H1_Day p10102hz + + - + + + + Ref zhb-a-129e Group Procter_D
43 12:26:57 20260219-1215-B400_B.14-43 12 B11_CPD_Day f25045cc - + - - - + + Ref cjc-dw-13-nmrRUN-inCD2Cl2 Group Willcox_D 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/Willcox_D/data/f25045cc/nmr/20260219-1215-B400_B.14-43/12/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/Willcox_D/data/f25045cc/nmr/20260219-1215-B400_B.14-43/12/pdata/1/peaks!
43 12:24:46 20260219-1215-B400_B.14-43 11 H1_Day f25045cc - + - - - + + Ref cjc-dw-13-nmrRUN-inCD2Cl2 Group Willcox_D
43 12:19:41 20260219-1215-B400_B.14-43 10 P31_CPD_Day f25045cc + + - + + + + Ref cjc-dw-13-nmrRUN-inCD2Cl2 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
42 12:15:57 20260219-1135-B400_B.14-42 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-23 pp1 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 12:11:08 20260219-1135-B400_B.14-42 10 H1_Day c62220rg + + - + + + + Ref nk 1-23 pp1 Group Trowbridge_A
32 12:06:51 20260219-1141-B400_B.14-32 10 H1_Day m52750pm + + - + + + + Ref GC_MP23+is Group Crisenza_G
31 12:02:06 20260219-1141-B400_B.14-31 10 H1_Day m52750pm + + - + + + + Ref GC_MP22+is Group Crisenza_G
30 11:57:39 20260219-1138-B400_B.14-30 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Fe-2) Group Riddell_I
29 11:53:08 20260219-1138-B400_B.14-29 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Zn-2) Group Riddell_I
27 11:36:16 20260219-1118-B400_B.14-27 11 C13_CPD_Night256 v73981ac + + - + + + + Ref LC18 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 11:31:50 20260219-1125-B400_B.14-29 10 H1_Day p69237rb + + - + + + + Ref GC RBP21C C Group Crisenza_G
27 11:27:12 20260219-1118-B400_B.14-27 10 H1_Day v73981ac + + - + + + + Ref LC18 Group Larrosa_I
26 11:22:59 20260219-1109-B400_B.14-26 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-026-1 Group DeBo_G
25 11:18:57 20260219-1108-B400_B.14-25 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-036-RM Group James_M 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 11:14:44 20260219-1107-B400_B.14-24 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-035-RM Group James_M 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 11:12:20 20260219-1105-B400_B.14-23 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ-AS-01-032-F54-90 Group James_M 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 11:07:44 20260219-1105-B400_B.14-23 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-032-F54-90 Group James_M
20 11:02:49 20260219-1101-B400_B.14-20 10 H1_Day e29948ec + + - + + + + Ref GCEC purified dibromoalkene Group Crisenza_G
14 10:58:27 20260219-1054-B400_B.14-14 10 H1_Day e72206ov + + - + + + + Ref ov-015.3-b last flush frac Group DeBo_G
13 10:54:01 20260219-1053-B400_B.14-13 10 H1_Day e72206ov + + - + + + + Ref ov-015.3-b bet 33-34 frac Group DeBo_G
9 10:49:01 20260219-1039-B400_B.14-9 12 H1_Day f25045cc - + - - - + + Ref cjc-dw-9-final-b400_b.14 Group Willcox_D
9 10:45:39 20260219-1039-B400_B.14-9 11 B11_CPD_Day f25045cc - + - - - + + Ref cjc-dw-9-final-b400_b.14 Group Willcox_D 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/Willcox_D/data/f25045cc/nmr/20260219-1039-B400_B.14-9/11/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/Willcox_D/data/f25045cc/nmr/20260219-1039-B400_B.14-9/11/pdata/1/peaks!
9 10:40:52 20260219-1039-B400_B.14-9 10 P31_CPD_Day f25045cc + + - + + + + Ref cjc-dw-9-final-b400_b.14 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
8 10:30:14 20260219-1029-B400_B.14-8 10 H1_Day s38708sb + + - + + + + Ref 1,3-diethynylbenzene Group Gardiner_J
7 10:26:15 20260219-1013-B400_B.14-7 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-21 w Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7 10:21:31 20260219-1013-B400_B.14-7 10 H1_Day c62220rg + + - + + + + Ref nk 1-21 w Group Trowbridge_A
6 10:19:14 20260219-1013-B400_B.14-6 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-16 w 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
6 10:14:46 20260219-1013-B400_B.14-6 10 H1_Day c62220rg + + - + + + + Ref nk 1-16 w Group Trowbridge_A
5 10:03:35 20260219-0953-B400_B.14-5 10 H1_Day f85241bm + + - + + + + Ref BM1133 Group Bures_J
4 09:58:36 20260219-0939-B400_B.14-4 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1027-is Group Procter_D
3 09:53:41 20260219-0937-B400_B.14-3 10 H1_Day k03582jd + + - + + + + Ref JDR45 Group Procter_D
2 09:48:48 20260219-0937-B400_B.14-2 10 H1_Day k03582jd + + - + + + + Ref JDR44 Group Procter_D
1 09:39:49 20260219-0934-B400_B.14-1 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-924-001-rm Group James_M 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 09:35:01 20260219-0934-B400_B.14-1 10 H1_Day c46714th + + - + + + + Ref TH-924-001-rm Group James_M
59 09:12:17 20260219-0911-B400_B.14-59 10 H1_Day e66390fk + + - x - - - Ref fk6s Group Gardiner_J Lock failed after multiple attempts, lock: Command 'lock DMSO' failed. Lock is PENDING, Command 'lock DMSO' failed. Lock is PENDING
10 02:24:27 20260219-0218-B400_B.14-10 11 B11_CPD_Day q62112nk - + - - - + + Ref djp-nk-2-py-acid-n Group Procter_D sref: NUCLEUS '11B' not defined for SOLVENT 'DMSO' 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/q62112nk/nmr/20260219-0218-B400_B.14-10/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'DMSO' 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/q62112nk/nmr/20260219-0218-B400_B.14-10/11/pdata/1/peaks!
10 02:19:38 20260219-0218-B400_B.14-10 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-2-py-acid-n Group Procter_D
9 02:13:01 20260219-0207-B400_B.14-9 11 H1_DoubleSuppression_Day q62112nk - + - - - + + Ref djp-nk-2-py-acid-hcl Group Procter_D
9 02:08:01 20260219-0207-B400_B.14-9 10 B11_CPD_Day q62112nk + + - + + + + Ref djp-nk-2-py-acid-hcl Group Procter_D sref: NUCLEUS '11B' not defined for SOLVENT 'DMSO' 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/q62112nk/nmr/20260219-0207-B400_B.14-9/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'DMSO' 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/q62112nk/nmr/20260219-0207-B400_B.14-9/10/pdata/1/peaks!
6 01:56:17 20260219-0107-B400_B.14-6 11 H1_Day q62112nk - + - - - + + Ref djp-nk-2-py-acid-hcl-re Group Procter_D
6 01:50:31 20260219-0107-B400_B.14-6 10 B11_CPD_Day q62112nk + + - + + + + Ref djp-nk-2-py-acid-hcl-re Group Procter_D sref: NUCLEUS '11B' not defined for SOLVENT 'DMSO' 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/q62112nk/nmr/20260219-0107-B400_B.14-6/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'DMSO' 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/q62112nk/nmr/20260219-0107-B400_B.14-6/10/pdata/1/peaks!
8 01:21:44 20260219-0108-B400_B.14-8 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-2-py-salt-acid-hcl-hre Group Procter_D
6 01:16:56 20260219-0107-B400_B.14-6 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-2-py-acid-hcl-re Group Procter_D
7 01:12:05 20260219-0107-B400_B.14-7 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-222-py-acid-hcl-40 Group Procter_D
5 01:06:57 20260219-0016-B400_B.14-5 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296re Group Procter_D
3 00:17:23 20260219-0016-B400_B.14-3 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-2-pysalt-acid-hcl Group Procter_D
2 22:19:39 20260218-2217-B400_B.14-2 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296-r Group Procter_D
1 22:14:12 20260218-2213-B400_B.14-1 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2co2etagain Group Procter_D
22 21:28:47 20260218-2124-B400_B.14-22 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296-B Group Procter_D
21 21:24:24 20260218-2123-B400_B.14-21 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296-S Group Procter_D
19 20:59:10 20260218-2000-B400_B.14-19 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GC_MP19-20_fr52-57 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 20:54:27 20260218-2000-B400_B.14-19 10 H1_Night m52750pm + + - + + + + Ref GC_MP19-20_fr52-57 Group Crisenza_G
17 20:40:00 20260218-1958-B400_B.14-17 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GC_MP19-20_fr18-20 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 20:35:41 20260218-1958-B400_B.14-17 10 H1_Night m52750pm + + - + + + + Ref GC_MP19-20_fr18-20 Group Crisenza_G
12 20:21:16 20260218-1956-B400_B.14-12 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GC_MP19-20_fr14-16 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 20:16:33 20260218-1956-B400_B.14-12 10 H1_Night m52750pm + + - + + + + Ref GC_MP19-20_fr14-16 Group Crisenza_G
11 20:01:45 20260218-1954-B400_B.14-11 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GC_MP19-20_fr28-32 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 19:56:41 20260218-1954-B400_B.14-11 10 H1_Night m52750pm + + - + + + + Ref GC_MP19-20_fr28-32 Group Crisenza_G
4 19:54:10 20260218-1948-B400_B.14-4 11 P31_CPD_Day j40457bh - + - - - + + Ref bh ah 286 c1 fr24+ 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
4 19:49:20 20260218-1948-B400_B.14-4 10 H1_Day j40457bh + + - + + + + Ref bh ah 286 c1 fr24+ Group Trowbridge_A
47 19:28:42 20260218-1844-B400_B.14-47 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
30 19:12:01 20260218-1656-B400_B.14-30 11 C13_CPD_Night256 p10102hz + + - + + + + Ref zhb-a-138ar-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 18:55:23 20260218-1656-B400_B.14-29 11 C13_CPD_Night256 p10102hz + + - + + + + Ref zhb-a-138ar-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 18:40:29 20260218-1818-B400_B.14-46 12 C13_CPD_Night256 q62112nk - + - - - + + Ref djp-nk-308 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 18:38:30 20260218-1818-B400_B.14-46 11 F19_NoCPD_Day q62112nk - + - - - + + Ref djp-nk-308 Group Procter_D 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
46 18:34:06 20260218-1818-B400_B.14-46 10 H1_Day q62112nk + + - + + + + Ref djp-nk-308 Group Procter_D
45 18:29:41 20260218-1815-B400_B.14-45 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-nosaltcontorl Group Procter_D
44 18:24:40 20260218-1815-B400_B.14-44 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2co2etacvid Group Procter_D
43 18:20:09 20260218-1749-B400_B.14-43 10 H1_Day m19368jb + + - + + + + Ref AK-JB21-AE Group Keerthi_A Juliet Barclay JB-21-AE CDCl3
42 18:15:26 20260218-1748-B400_B.14-42 10 H1_Day m19368jb + + - + + + + Ref AK-JB19-F1 Group Keerthi_A Juliet Barclay JB-19-F1 CDCl3
41 18:11:32 20260218-1325-B400_B.14-41 11 F19_NoCPD_Day f56027ch + + - + + + + Ref 1006e Group Schroder_M 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
39 18:06:55 20260218-1742-B400_B.14-39 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
38 18:02:40 20260218-1719-B400_B.14-38 10 F19_CPD_Day a74776dr + + - + + + + Ref old nhc Group Procter_D 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
37 17:56:26 20260218-1719-B400_B.14-37 10 F19_CPD_Day a74776dr + + - + + + + Ref new nhc 2nd Group Procter_D 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 17:50:52 20260218-1719-B400_B.14-36 10 F19_CPD_Day a74776dr + + - + + + + Ref 413 1st spot Group Procter_D 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 17:39:24 20260218-1715-B400_B.14-35 10 H1_Quant_D1_25s_Day h91839em + + - + + + + Ref gc em 259 rep Group Crisenza_G
34 17:35:07 20260218-1715-B400_B.14-34 10 H1_Day h91839em + + - + + + + Ref gc em 269 Group Crisenza_G
33 17:23:24 20260218-1702-B400_B.14-33 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 301 (crude) Group Procter_D
32 17:11:28 20260218-1702-B400_B.14-32 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 297 (crude) Group Procter_D
31 17:05:53 20260218-1701-B400_B.14-31 10 H1_Day h68355ac + + - + x + + Ref djp-oc-1028-is Group Procter_D topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
30 17:01:22 20260218-1656-B400_B.14-30 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ar-2 Group Procter_D
29 16:57:08 20260218-1656-B400_B.14-29 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ar-1 Group Procter_D
28 16:52:39 20260218-1649-B400_B.14-28 10 H1_Day s52134ad + + - + + + + Ref AJD J84 (c) Group Larrosa_I
27 16:40:33 20260218-1552-B400_B.14-27 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-ps358 Group Larrosa_I
26 16:35:56 20260218-1550-B400_B.14-26 10 H1_Day w12998gm + + - + + + + Ref il-ps350 Group Larrosa_I
25 16:31:08 20260218-1550-B400_B.14-25 10 H1_Day w12998gm + + - + + + + Ref il-ps357b Group Larrosa_I
37 16:26:43 20260218-1612-B400_B.14-37 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-506-cr Group Procter_D
36 16:21:57 20260218-1612-B400_B.14-36 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-505-cr Group Procter_D
35 16:17:32 20260218-1612-B400_B.14-35 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-504-cr Group Procter_D
34 16:12:48 20260218-1559-B400_B.14-34 10 H1_Day y03998so + + - + + + + Ref DJP SO107 Group Procter_D
33 16:08:05 20260218-1556-B400_B.14-33 10 H1_Day a74776dr + + - + + + + Ref 413 carbene 3rd Group Procter_D
32 16:03:19 20260218-1556-B400_B.14-32 10 H1_Day a74776dr + + - + + + + Ref 413 carbene 2nd Group Procter_D
31 15:58:38 20260218-1556-B400_B.14-31 10 H1_Day a74776dr + + - + + + + Ref 413 carbene 1st Group Procter_D
30 15:54:07 20260218-1527-B400_B.14-30 10 F19_NoCPD_Day f56027ch + + - + + + + Ref pfas-dmso-2 Group Schroder_M 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
24 15:49:02 20260218-1536-B400_B.14-24 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref IL-pdl791.5h Group Larrosa_I 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 15:43:59 20260218-1536-B400_B.14-24 10 H1_Day w12998gm + + - + + + + Ref IL-pdl791.5h Group Larrosa_I
23 15:39:14 20260218-1517-B400_B.14-23 10 H1_Day e72206ov + + - + + + + Ref ov-015.3-b f3 Group DeBo_G
22 15:34:06 20260218-1141-B400_B.14-22 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-6h-30minheat Group Larrosa_I 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 15:28:58 20260218-1141-B400_B.14-22 12 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-6h-30minheat Group Larrosa_I
21 15:24:28 20260218-1517-B400_B.14-21 10 H1_Day e72206ov + + - + + + + Ref ov-015.3-b f2 Group DeBo_G
20 15:19:31 20260218-1515-B400_B.14-20 10 H1_Day e72206ov + + - + + + + Ref ov-015.3-b f1 Group DeBo_G
19 15:14:55 20260218-1514-B400_B.14-19 10 H1_Day k03582jd + + - + + + + Ref JDR42 Group Procter_D
17 15:08:46 20260218-1503-B400_B.14-17 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-21 p1 ome Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 15:04:34 20260218-1503-B400_B.14-17 10 H1_Day c62220rg + + - + + + + Ref nk 1-21 p1 ome Group Trowbridge_A
14 15:00:17 20260218-1459-B400_B.14-14 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-025- workup Group DeBo_G
13 14:52:48 20260218-1444-B400_B.14-13 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-21 p1 ome 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
13 14:48:44 20260218-1444-B400_B.14-13 10 H1_Day c62220rg + + - + + + + Ref nk 1-21 p1 ome Group Trowbridge_A
12 14:44:08 20260218-1442-B400_B.14-12 10 F19_NoCPD_Day f56027ch + + - + + + + Ref PFAS-dmso Group Schroder_M 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
3 14:22:03 20260218-1417-B400_B.14-3 10 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Ce(II)-Evnas-insert Group Goodwin_C
2 14:18:46 20260218-1416-B400_B.14-2 10 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Yb(III)-Evans-insert Group Goodwin_C
37 13:51:22 20260218-1317-B400_B.14-37 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-03-30-39 Group DeBo_G
36 13:42:12 20260218-1317-B400_B.14-36 10 H1_Day z40973rs + + - + x + + Ref gdb-tlt-03-26 Group DeBo_G topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
42 13:37:42 20260218-1325-B400_B.14-42 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-758-crude Group Greaney_M
41 13:32:54 20260218-1325-B400_B.14-41 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-757-col Group Greaney_M
40 13:28:27 20260218-1322-B400_B.14-40 10 H1_Day k48162ck + + - + + + + Ref PyNHC-AuCl(column) Group Romanov_A
39 13:23:58 20260218-1320-B400_B.14-39 10 H1_Day t91715jk + + - + + + + Ref JK127 DP50 cy2 ppt in chloro Group Gibson_M JK127 DP50 cy2 ppt in chloro
38 13:19:20 20260218-1317-B400_B.14-38 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-03-40-42 Group DeBo_G
33 13:13:53 20260218-1308-B400_B.14-33 10 H1_Day m52750pm + + - + + + + Ref GCPM266cr Group Crisenza_G
32 13:09:29 20260218-1308-B400_B.14-32 10 H1_Day m52750pm + + - + + + + Ref GCPM265cr Group Crisenza_G
31 12:57:26 20260218-1256-B400_B.14-31 10 H1_Quant_NS1_Day n04147ed + + - + + + + Ref ED-03-009-x Group James_M
27 12:41:56 20260218-1239-B400_B.14-27 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-308cr Group Procter_D
26 12:37:39 20260218-1233-B400_B.14-26 10 H1_Day c46714th + + - + + + + Ref TH-925-001-cr Group James_M
25 12:33:06 20260218-1232-B400_B.14-25 10 H1_Day c46714th + + - + + + + Ref TH-925-000-sm Group James_M
1 12:19:55 20260218-1218-B400_B.14-1 10 H1_Day y52364mw + + - + + + + Ref GDB-FS005-2 Fr1 Group DeBo_G
24 12:02:25 20260218-1201-B400_B.14-24 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC176-p2-2 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/20260218-1201-B400_B.14-24/10/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/20260218-1201-B400_B.14-24/10/pdata/1/peaks!
23 11:53:41 20260218-1141-B400_B.14-23 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-34b Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260218-1141-B400_B.14-23/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260218-1141-B400_B.14-23/11/pdata/1/peaks!
23 11:49:16 20260218-1141-B400_B.14-23 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-34b Group Trowbridge_A
22 11:46:58 20260218-1141-B400_B.14-22 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-34a Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260218-1141-B400_B.14-22/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260218-1141-B400_B.14-22/11/pdata/1/peaks!
22 11:42:29 20260218-1141-B400_B.14-22 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-34a Group Trowbridge_A
8 11:33:05 20260218-1128-B400_B.14-8 10 H1_Day y01348dm + + - + + + + Ref ax_08 Group Keerthi_A
7 11:28:48 20260218-1125-B400_B.14-7 10 H1_Day h91839em + + - + + + + Ref gc em 268 C Group Crisenza_G
6 11:23:39 20260218-1122-B400_B.14-6 10 H1_Day e29948ec + + - + + + + Ref GCEC alkyne benzylation MeCN/H2O (2hrs) Group Crisenza_G
21 11:01:31 20260218-1101-B400_B.14-21 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-024-column Group DeBo_G
15 10:36:27 20260218-1031-B400_B.14-15 10 H1_Day z86427mk + + - + + + + Ref MK-297-Crude Group Procter_D
14 10:32:03 20260218-1030-B400_B.14-14 10 H1_Day z86427mk + + - + + + + Ref MK-294-Crude Group Procter_D
10 10:25:20 20260218-1019-B400_B.14-10 10 H1_Day v19233ne + + - + + + + Ref MIG-NE-NE002.1_100_t21 Group Other
9 10:20:59 20260218-1017-B400_B.14-9 10 H1_Day v19233ne + + - + + + + Ref MIG-NE-NE002.1_100_t0 Group Other
7 10:16:41 20260218-1015-B400_B.14-7 10 H1_Day m19368jb + + - + + + + Ref AK-JB-22W Group Keerthi_A Juliet Barclay JB-22W DMSO-D6
5 09:59:41 20260218-0956-B400_B.14-5 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1026-crude Group Procter_D
4 09:56:11 20260218-0943-B400_B.14-4 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC176-p2 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/20260218-0943-B400_B.14-4/10/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/20260218-0943-B400_B.14-4/10/pdata/1/peaks!
3 09:49:24 20260218-0933-B400_B.14-3 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Fe)b Group Riddell_I
2 09:42:23 20260218-0933-B400_B.14-2 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Cd)b Group Riddell_I
1 09:36:48 20260218-0933-B400_B.14-1 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Zn)b Group Riddell_I
34 07:51:05 20260217-2335-B400_B.14-34 10 H1_Day a74776dr + + - + + + + Ref charlie zk Group Procter_D
33 07:46:32 20260217-2335-B400_B.14-33 10 H1_Day a74776dr + + - + + + + Ref my zk Group Procter_D
29 07:42:12 20260217-2332-B400_B.14-29 10 H1_Day a74776dr + + - + + + + Ref 411 nhc 2nd Group Procter_D
28 07:37:40 20260217-2332-B400_B.14-28 10 H1_Day a74776dr + + - + + + + Ref 411 nhc 1st Group Procter_D
27 07:33:26 20260217-2332-B400_B.14-27 10 H1_Day a74776dr + + - + + + + Ref old nhc Group Procter_D
22 07:28:41 20260217-2042-B400_B.14-22 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-24-6h-1hheat Group Larrosa_I 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 07:24:58 20260217-2042-B400_B.14-22 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-6h-1hheat Group Larrosa_I
21 07:20:13 20260217-2041-B400_B.14-21 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-24-6h-30minheat Group Larrosa_I 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 07:16:24 20260217-2041-B400_B.14-21 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-6h-30minheat Group Larrosa_I
10 07:11:37 20260217-1948-B400_B.14-10 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-24-6h-water Group Larrosa_I 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 07:06:26 20260217-1948-B400_B.14-10 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-6h-water Group Larrosa_I
9 07:01:19 20260217-1947-B400_B.14-9 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-24-6h-heat15min Group Larrosa_I 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
9 06:56:08 20260217-1947-B400_B.14-9 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-6h-heat15min Group Larrosa_I
43 06:41:43 20260217-1900-B400_B.14-43 11 C13_CPD_Night256 v73981ac - + - - - + + Ref ILAC174-crystals3 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 06:37:14 20260217-1900-B400_B.14-43 10 H1_Day v73981ac + + - + + + + Ref ILAC174-crystals3 Group Larrosa_I
42 05:51:50 20260217-1858-B400_B.14-42 15 H1_NOESY_US_Night n04147ed - + - - - + + Ref ED-03-007-02 Group James_M
42 05:33:26 20260217-1858-B400_B.14-42 14 H1_C13_HMBC_US_Night n04147ed - + - - - + + Ref ED-03-007-02 Group James_M
42 05:21:06 20260217-1858-B400_B.14-42 13 H1_C13_HSQC_US_Night n04147ed - + - - - + + Ref ED-03-007-02 Group James_M
42 05:18:55 20260217-1858-B400_B.14-42 12 H1_Night n04147ed - + - - - + + Ref ED-03-007-02 Group James_M
42 04:00:21 20260217-1858-B400_B.14-42 11 H1_COSY_NS32_Night n04147ed - + - - - + + Ref ED-03-007-02 Group James_M
42 03:43:49 20260217-1858-B400_B.14-42 10 C13_CPD_Night256 n04147ed + + - + + + + Ref ED-03-007-02 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 02:58:25 20260217-1857-B400_B.14-41 15 H1_NOESY_US_Night n04147ed - + - - - + + Ref ED-03-007-01 Group James_M
41 02:39:59 20260217-1857-B400_B.14-41 14 H1_C13_HMBC_US_Night n04147ed - + - - - + + Ref ED-03-007-01 Group James_M
41 02:27:41 20260217-1857-B400_B.14-41 13 H1_C13_HSQC_US_Night n04147ed - + - - - + + Ref ED-03-007-01 Group James_M
41 02:25:29 20260217-1857-B400_B.14-41 12 H1_Night n04147ed - + - - - + + Ref ED-03-007-01 Group James_M
41 01:06:49 20260217-1857-B400_B.14-41 11 H1_COSY_NS32_Night n04147ed - + - - - + + Ref ED-03-007-01 Group James_M
41 00:49:40 20260217-1857-B400_B.14-41 10 C13_CPD_Night256 n04147ed + + - + + + + Ref ED-03-007-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 00:44:52 20260217-1848-B400_B.14-38 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-178.o Group Larrosa_I 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 00:39:30 20260217-1848-B400_B.14-38 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-178.o Group Larrosa_I
37 00:34:42 20260217-1847-B400_B.14-37 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-177.o Group Larrosa_I 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
37 00:29:17 20260217-1847-B400_B.14-37 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-177.o Group Larrosa_I
36 00:24:29 20260217-1846-B400_B.14-36 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-176.o Group Larrosa_I 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 00:20:30 20260217-1846-B400_B.14-36 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-176.o Group Larrosa_I
32 00:15:39 20260217-1844-B400_B.14-32 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-163.o Group Larrosa_I 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 00:11:42 20260217-1844-B400_B.14-32 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-163.o Group Larrosa_I
31 00:06:56 20260217-1844-B400_B.14-31 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-162.o Group Larrosa_I 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 00:02:14 20260217-1844-B400_B.14-31 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-162.o Group Larrosa_I
30 23:57:28 20260217-1843-B400_B.14-30 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-149.o Group Larrosa_I 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 23:53:14 20260217-1843-B400_B.14-30 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-149.o Group Larrosa_I
26 23:48:30 20260217-1841-B400_B.14-26 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-136.o Group Larrosa_I 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 23:44:33 20260217-1841-B400_B.14-26 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-136.o Group Larrosa_I
25 23:41:53 20260217-1840-B400_B.14-25 11 H1_Quant_NS1_Day d93111sd - + - - - + + Ref IL-SD-111.o Group Larrosa_I
25 23:34:52 20260217-1840-B400_B.14-25 10 F19_Quant_D1_8s_Day d93111sd + + - + + + + Ref IL-SD-111.o Group Larrosa_I 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 23:30:07 20260217-1839-B400_B.14-24 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-109.o Group Larrosa_I 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 23:24:27 20260217-1839-B400_B.14-24 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-109.o Group Larrosa_I
18 23:19:14 20260217-1141-B400_B.14-18 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-after24hr Group Larrosa_I 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 23:13:06 20260217-1141-B400_B.14-18 12 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-after24hr Group Larrosa_I
16 23:09:35 20260217-1135-B400_B.14-16 12 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC176-p2 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/20260217-1135-B400_B.14-16/12/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/20260217-1135-B400_B.14-16/12/pdata/1/peaks!
17 22:57:16 20260217-1749-B400_B.14-17 13 H1_C13_HSQC_US_Night y83620jc - + - - - + + Ref ja-jc-d3 Group Other
17 22:42:50 20260217-1749-B400_B.14-17 12 C13_CPD_Night256 y83620jc - + - - - + + Ref ja-jc-d3 Group Other sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 22:24:20 20260217-1749-B400_B.14-17 11 H1_C13_HMBC_US_Night y83620jc - + - - - + + Ref ja-jc-d3 Group Other
17 22:19:20 20260217-1749-B400_B.14-17 10 H1_Night y83620jc + + - + + + + Ref ja-jc-d3 Group Other
20 22:04:08 20260217-1723-B400_B.14-20 11 C13_CPD_Night256 n29715ss - + - - - + + Ref JB003 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 21:57:37 20260217-1723-B400_B.14-20 10 H1_Day n29715ss + + - + x + + Ref JB003 Group Procter_D topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
14 21:55:29 20260217-1707-B400_B.14-14 12 P31_NoCPD_Day n38871ln - + - - - + + Ref quant grubs 1 after 1 day Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 21:51:54 20260217-1707-B400_B.14-14 11 P31_CPD_Day n38871ln - + - - - + + Ref quant grubs 1 after 1 day Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 21:38:04 20260217-1707-B400_B.14-14 10 H1_Day n38871ln + + - + + + + Ref quant grubs 1 after 1 day Group Larrosa_I
12 21:25:46 20260217-1700-B400_B.14-12 13 H1_C13_HSQC_US_Night v73981ac - + - - - + + Ref ILAC175C-F4 Group Larrosa_I
12 21:23:33 20260217-1700-B400_B.14-12 12 H1_Night v73981ac - + - - - + + Ref ILAC175C-F4 Group Larrosa_I
12 21:05:15 20260217-1700-B400_B.14-12 11 C13_CPD_Night256 v73981ac + + - + x + + Ref ILAC175C-F4 Group Larrosa_I 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
19 20:58:56 20260217-1655-B400_B.14-19 14 H1_COSY_Day h68355ac - + - - - + + Ref djp-oc-1023-s2-ch Group Procter_D
19 20:40:27 20260217-1655-B400_B.14-19 13 H1_C13_HMBC_US_Night h68355ac - + - - - + + Ref djp-oc-1023-s2-ch Group Procter_D
19 20:25:45 20260217-1655-B400_B.14-19 12 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1023-s2-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19 20:02:04 20260217-1655-B400_B.14-19 11 H1_C13_HSQCed_Night h68355ac - + - - - + + Ref djp-oc-1023-s2-ch Group Procter_D
19 19:55:08 20260217-1655-B400_B.14-19 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1023-s2-ch Group Procter_D
8 19:46:31 20260217-1636-B400_B.14-8 10 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-012-ruint Group Larrosa_I
58 19:29:21 20260217-1543-B400_B.14-58 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC175C-F3 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 19:25:00 20260217-1444-B400_B.14-23 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004 t3 = 3pv Group Other
59 18:58:45 20260217-0932-B400_B.14-59 13 H1_C13_HSQCed_Night e66390fk + + - + + + + Ref fk6s Group Gardiner_J
15 18:45:48 20260217-1712-B400_B.14-15 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 293 (crude) Group Procter_D
13 18:34:20 20260217-1712-B400_B.14-13 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 294 (crude) Group Procter_D
12 18:29:35 20260217-1700-B400_B.14-12 10 H1_Day v73981ac + + - + + + + Ref ILAC175C-F4 Group Larrosa_I
11 18:25:04 20260217-1653-B400_B.14-11 10 H1_Day m52750pm + + - + + + + Ref GC_MP21+is Group Crisenza_G
10 18:20:48 20260217-1653-B400_B.14-10 10 H1_Day m52750pm + + - + + + + Ref GC_MP20+is Group Crisenza_G
9 18:16:17 20260217-1652-B400_B.14-9 10 H1_Day m52750pm + + - + + + + Ref GC_MP19+is Group Crisenza_G
7 18:11:35 20260217-1649-B400_B.14-7 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-150-CRM Group Larrosa_I
6 18:10:20 20260217-1646-B400_B.14-6 12 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Ce(II)-Evans Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1646-B400_B.14-6/12/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1646-B400_B.14-6/12/pdata/1/peaks No peak is found in the specified ranges!
6 18:09:12 20260217-1646-B400_B.14-6 11 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Ce(II)-Evans Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1646-B400_B.14-6/11/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1646-B400_B.14-6/11/pdata/1/peaks No peak is found in the specified ranges!
6 18:06:13 20260217-1646-B400_B.14-6 10 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Ce(II)-Evans Group Goodwin_C
5 18:05:03 20260217-1645-B400_B.14-5 12 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Yb(III)-Evans-xwide Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1645-B400_B.14-5/12/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1645-B400_B.14-5/12/pdata/1/peaks No peak is found in the specified ranges!
5 18:03:51 20260217-1645-B400_B.14-5 11 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Yb(III)-Evans-xwide Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1645-B400_B.14-5/11/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260217-1645-B400_B.14-5/11/pdata/1/peaks No peak is found in the specified ranges!
5 18:00:44 20260217-1645-B400_B.14-5 10 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Yb(III)-Evans-xwide Group Goodwin_C
4 17:56:14 20260217-1608-B400_B.14-4 10 H1_Day y03998so + + - + + + + Ref DJP SO102 Group Procter_D
3 17:53:45 20260217-1548-B400_B.14-3 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-DW-132 Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
3 17:49:14 20260217-1548-B400_B.14-3 10 H1_Day q50682hk + + - + + + + Ref HK-DW-132 Group Willcox_D
2 17:44:21 20260217-1541-B400_B.14-2 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref 790F Group Larrosa_I 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 17:39:46 20260217-1541-B400_B.14-2 10 H1_Day w12998gm + + - + + + + Ref 790F Group Larrosa_I
1 17:34:53 20260217-1541-B400_B.14-1 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref 790E Group Larrosa_I 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
1 17:30:05 20260217-1541-B400_B.14-1 10 H1_Day w12998gm + + - + + + + Ref 790E Group Larrosa_I
60 17:26:25 20260217-1528-B400_B.14-60 10 H1_Day e66390fk + + - x - - - Ref fk6s Group Gardiner_J Lock failed after multiple attempts, lock: Command 'lock DMSO' failed. Lock is PENDING, Command 'lock DMSO' failed. Lock is PENDING
58 17:22:10 20260217-1543-B400_B.14-58 10 H1_Day v73981ac + + - + + + + Ref ILAC175C-F3 Group Larrosa_I
57 17:17:12 20260217-1541-B400_B.14-57 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref 790D Group Larrosa_I 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
57 17:12:46 20260217-1541-B400_B.14-57 10 H1_Day w12998gm + + - + + + + Ref 790D Group Larrosa_I
56 17:06:31 20260217-1540-B400_B.14-56 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref 790C Group Larrosa_I 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
56 17:01:30 20260217-1540-B400_B.14-56 10 H1_Day w12998gm + + - + + + + Ref 790C Group Larrosa_I
55 16:56:43 20260217-1540-B400_B.14-55 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref 790B Group Larrosa_I 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
55 16:51:00 20260217-1540-B400_B.14-55 10 H1_Day w12998gm + + - + + + + Ref 790B Group Larrosa_I
54 16:39:31 20260217-1518-B400_B.14-54 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR3-F Group Shaver_M
53 16:28:03 20260217-1518-B400_B.14-53 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR3-E Group Shaver_M
52 16:16:41 20260217-1517-B400_B.14-52 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR3-D Group Shaver_M
51 16:11:38 20260217-1538-B400_B.14-51 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref IL-pdl790A Group Larrosa_I 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
51 16:06:39 20260217-1538-B400_B.14-51 10 H1_Day w12998gm + + - + + + + Ref IL-pdl790A Group Larrosa_I
50 16:01:42 20260217-1533-B400_B.14-50 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4acetylislated Group Procter_D
49 15:58:50 20260217-1524-B400_B.14-49 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-17 pp1 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
49 15:53:48 20260217-1524-B400_B.14-49 10 H1_Day c62220rg + + - + + + + Ref nk 1-17 pp1 Group Trowbridge_A
48 15:42:19 20260217-1516-B400_B.14-48 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR3-C Group Shaver_M
47 15:31:03 20260217-1515-B400_B.14-47 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR3-B Group Shaver_M
46 15:19:37 20260217-1515-B400_B.14-46 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR3-A Group Shaver_M
45 15:15:31 20260217-1459-B400_B.14-45 10 H1_Day k48162ck + + - + + + + Ref pyraNHC-CuCl(old) Group Romanov_A
44 15:06:28 20260217-1458-B400_B.14-44 10 H1_Day k48162ck + + - + x + + Ref naphthalenediamine(salt purified) Group Romanov_A topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
43 15:02:23 20260217-1458-B400_B.14-43 10 H1_Day k48162ck + + - + + + + Ref pynhc-cucl-tbuoNa Group Romanov_A
42 14:50:27 20260217-1432-B400_B.14-42 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-gm-10-013-no-f Group Larrosa_I
41 14:45:46 20260217-1357-B400_B.14-41 10 H1_Day y03998so + + - + + + + Ref SO101 Group Procter_D
40 14:40:19 20260217-1357-B400_B.14-40 10 H1_Day y03998so + + - + + + + Ref SO100 Group Procter_D
39 14:38:31 20260217-1354-B400_B.14-39 12 F19_NoCPD_Day v73981ac - + - - - + + Ref LC16 Group Larrosa_I
39 14:21:17 20260217-1354-B400_B.14-39 11 F19_Quant_D1_8s_Day v73981ac - + - - - + + Ref LC16 Group Larrosa_I
39 14:17:48 20260217-1354-B400_B.14-39 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC16 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/20260217-1354-B400_B.14-39/10/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/20260217-1354-B400_B.14-39/10/pdata/1/peaks!
38 14:11:32 20260217-1346-B400_B.14-38 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Fe)a Group Riddell_I
37 14:04:08 20260217-1346-B400_B.14-37 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Cd)a Group Riddell_I
36 13:58:24 20260217-1346-B400_B.14-36 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-016(DMF-Zn)a Group Riddell_I
35 13:53:36 20260217-1341-B400_B.14-35 10 H1_Day e72206ov + + - + + + + Ref ov-011-c col of coelute, high spot green Group DeBo_G
34 13:51:24 20260217-1337-B400_B.14-34 11 F19_CPD_Day k03582jd - + - - - + + Ref JDR43 Group Procter_D 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 13:46:41 20260217-1337-B400_B.14-34 10 H1_Day k03582jd + + - + + + + Ref JDR43 Group Procter_D
33 13:44:22 20260217-1337-B400_B.14-33 11 F19_CPD_Day k03582jd - + - - - + + Ref JDR42 Group Procter_D 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 13:39:50 20260217-1337-B400_B.14-33 10 H1_Day k03582jd + + - + + + + Ref JDR42 Group Procter_D
32 13:36:45 20260217-1332-B400_B.14-32 11 F19_CPD_Day mbdxjsl5 - + - - - + + Ref SJL749 Group Mcinnes_E sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
32 13:33:15 20260217-1332-B400_B.14-32 10 H1_ExtraWide_Day mbdxjsl5 + + - + + + + Ref SJL749 Group Mcinnes_E
16 13:17:01 20260217-1135-B400_B.14-16 11 C13_CPD_Night256 v73981ac x - - - - - - Ref LC15 Group Larrosa_I WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.16'.
31 13:13:36 20260217-1247-B400_B.14-31 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC176-p1 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/20260217-1247-B400_B.14-31/10/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/20260217-1247-B400_B.14-31/10/pdata/1/peaks!
30 13:08:06 20260217-1244-B400_B.14-30 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-720-cr Group Trowbridge_A
29 12:55:46 20260217-1225-B400_B.14-29 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-307repeat Group Procter_D
28 12:51:17 20260217-1218-B400_B.14-28 10 H1_Day m52750pm + + - + + + + Ref GCPM261col2F3 Group Crisenza_G
27 12:46:47 20260217-1218-B400_B.14-27 10 H1_Day m52750pm + + - + + + + Ref GCPM261col2F2 Group Crisenza_G
26 12:42:02 20260217-1218-B400_B.14-26 10 H1_Day m52750pm + + - + + + + Ref GCPM261col2F1 Group Crisenza_G
25 12:36:48 20260217-1201-B400_B.14-25 10 H1_Day e72206ov + + - + + + + Ref ov-002-d post col some coelute Group DeBo_G
24 12:31:55 20260217-1202-B400_B.14-24 10 H1_Day k48162ck + + - + + + + Ref PyraNHC-CuCl-largescale Group Romanov_A
23 12:26:58 20260217-1200-B400_B.14-23 10 H1_Day e72206ov + + - + + + + Ref ov-011-c f2 Group DeBo_G
22 12:22:13 20260217-1153-B400_B.14-22 11 H1_Day e72206ov + + - + + + + Ref ov-011-c f1 Group DeBo_G
21 12:16:33 20260217-1153-B400_B.14-21 10 H1_Day k03582jd + + - + + + + Ref JDR18col Group Procter_D
20 12:10:39 20260217-1145-B400_B.14-20 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-755-(b)-col2-S2 Group Greaney_M
19 12:05:47 20260217-1144-B400_B.14-19 10 F19_CPD_Day w81612cw + + - + + + + Ref Il-CKW-PJ3-179 B after recrys 19F Group Mehta_M 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 12:03:00 20260217-1141-B400_B.14-18 10 H1_Quant_NS1_Day v73981ac + + - x - - - Ref ILAC176-p1 Group Larrosa_I Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is OFF, Command 'lock CDCl3' failed. Lock is OFF
17 11:58:03 20260217-1140-B400_B.14-17 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-24-after2d Group Larrosa_I 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 11:53:07 20260217-1140-B400_B.14-17 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-after2d Group Larrosa_I
16 11:48:22 20260217-1135-B400_B.14-16 10 H1_Day v73981ac + + - + + + + Ref LC15 Group Larrosa_I
15 11:46:35 20260217-1135-B400_B.14-15 12 F19_NoCPD_Day v73981ac - + - - - + + Ref LC14 Group Larrosa_I
15 11:41:34 20260217-1135-B400_B.14-15 11 F19_Quant_D1_8s_Day v73981ac - + - - - + + Ref LC14 Group Larrosa_I
15 11:38:07 20260217-1135-B400_B.14-15 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC14 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/20260217-1135-B400_B.14-15/10/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/20260217-1135-B400_B.14-15/10/pdata/1/peaks!
14 11:22:44 20260217-1122-B400_B.14-14 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-gm-10-013-crude Group Larrosa_I
59 09:54:04 20260217-0932-B400_B.14-59 12 H1_Night e66390fk - + - - - + + Ref fk6s Group Gardiner_J
59 09:39:30 20260217-0932-B400_B.14-59 11 C13_CPD_Night256 e66390fk - + - - - + + Ref fk6s Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 09:35:07 20260217-0932-B400_B.14-59 10 H1_Day e66390fk + + - + + + + Ref fk6s Group Gardiner_J
46 09:32:07 20260217-0927-B400_B.14-46 12 H1_COSY_HiRes_Night e66390fk + + - x - - - Ref fk6l Group Gardiner_J Lock failed after multiple attempts, lock: Command 'lock DMSO' failed. Lock is PENDING, Command 'lock DMSO' failed. Lock is PENDING
33 08:05:12 20260217-0753-B400_B.14-33 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SAC-1mM Group Riddell_I
32 08:00:59 20260217-0753-B400_B.14-32 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SNC-1mM Group Riddell_I
31 07:55:25 20260217-0753-B400_B.14-31 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SPC-1mM Group Riddell_I
4 06:58:26 20260217-0647-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-blue-nextdaysametube Group Larrosa_I
3 06:54:29 20260217-0647-B400_B.14-3 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-grey-nextdaysametube Group Larrosa_I
2 06:50:35 20260217-0646-B400_B.14-2 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-blue-nextday Group Larrosa_I
1 06:45:59 20260217-0645-B400_B.14-1 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-grey-nextday Group Larrosa_I
27 05:43:33 20260217-0045-B400_B.14-27 15 H1_COSY_HiRes_Night a74776dr - + - - - + + Ref DJP-DR-1-503-cr Group Procter_D
27 05:25:09 20260217-0045-B400_B.14-27 14 H1_C13_HMBC_US_Night a74776dr - + - - - + + Ref DJP-DR-1-503-cr Group Procter_D
27 05:12:50 20260217-0045-B400_B.14-27 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-1-503-cr Group Procter_D
27 05:04:23 20260217-0045-B400_B.14-27 12 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-1-503-cr Group Procter_D
27 04:49:35 20260217-0045-B400_B.14-27 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-1-503-cr Group Procter_D
27 04:44:35 20260217-0045-B400_B.14-27 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-1-503-cr Group Procter_D
26 04:41:54 20260216-2302-B400_B.14-26 12 F19_CPD_Day n29715ss - + - - - + + Ref DJP-SS-2F3OMeisolated Group Procter_D 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 04:26:59 20260216-2302-B400_B.14-26 11 C13_CPD_Night256 n29715ss - + - - - + + Ref DJP-SS-2F3OMeisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 04:22:39 20260216-2302-B400_B.14-26 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2F3OMeisolated Group Procter_D
25 04:17:54 20260216-2047-B400_B.14-25 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-178 Group Larrosa_I 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 04:13:32 20260216-2047-B400_B.14-25 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-178 Group Larrosa_I
24 04:08:48 20260216-2046-B400_B.14-24 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-177 Group Larrosa_I 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 04:04:53 20260216-2046-B400_B.14-24 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-177 Group Larrosa_I
23 04:00:04 20260216-2046-B400_B.14-23 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-grey Group Larrosa_I 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 03:56:17 20260216-2046-B400_B.14-23 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-grey Group Larrosa_I
22 03:50:14 20260216-1614-B400_B.14-22 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-blue Group Larrosa_I 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 03:45:35 20260216-1614-B400_B.14-22 11 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-blue Group Larrosa_I
21 03:31:20 20260216-1928-B400_B.14-21 10 H1_Night128 a74776dr + + - + + + + Ref 419ii 3rd Group Procter_D
20 03:17:27 20260216-1928-B400_B.14-20 10 H1_Night128 a74776dr + + - + + + + Ref 419ii 2nd Group Procter_D
17 03:03:25 20260216-1926-B400_B.14-17 10 H1_Night128 a74776dr + + - + + + + Ref 419i 3rd Group Procter_D
16 02:49:37 20260216-1926-B400_B.14-16 10 H1_Night128 a74776dr + + - + + + + Ref 419i 2nd Group Procter_D
15 02:35:31 20260216-1926-B400_B.14-15 10 H1_Night128 a74776dr + + - + + + + Ref 417ii 3rd Group Procter_D
13 02:21:29 20260216-1922-B400_B.14-13 10 H1_Night128 a74776dr + + - + + + + Ref 417ii 2nd Group Procter_D
12 02:07:27 20260216-1922-B400_B.14-12 10 H1_Night128 a74776dr + + - + + + + Ref 417ii 1st Group Procter_D
11 01:53:08 20260216-1922-B400_B.14-11 10 H1_Night128 a74776dr + + - + + + + Ref 417i 2nd Group Procter_D
10 01:39:05 20260216-1922-B400_B.14-10 10 H1_Night128 a74776dr + + - + + + + Ref 417i 1st Group Procter_D
52 01:35:10 20260216-1810-B400_B.14-52 11 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-6hr-4hrdiffaliqt Group Larrosa_I
51 01:17:47 20260216-1801-B400_B.14-51 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC175C-isolated Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 00:53:43 20260216-1516-B400_B.14-9 11 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM204 Group Cobb_S
8 00:29:51 20260216-1521-B400_B.14-8 12 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM203 Group Cobb_S
7 00:05:59 20260216-1520-B400_B.14-7 12 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM202 Group Cobb_S
6 23:40:42 20260216-1359-B400_B.14-6 12 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM201 Group Cobb_S
14 23:26:16 20260216-1540-B400_B.14-14 21 C13_CPD_Night256 w12998gm - + - - - + + Ref BR-4-35 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/w12998gm/nmr/20260216-1540-B400_B.14-14/21/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/w12998gm/nmr/20260216-1540-B400_B.14-14/21/pdata/1/peaks!
14 23:07:20 20260216-1540-B400_B.14-14 20 H1_C13_HMBC_US_Night w12998gm - + - - - + + Ref BR-4-35 Group Larrosa_I
14 21:48:40 20260216-1540-B400_B.14-14 19 H1_COSY_NS32_Night w12998gm - + - - - + + Ref BR-4-35 Group Larrosa_I
14 21:21:42 20260216-1540-B400_B.14-14 18 P31_CPD_Night w12998gm - + - - - + + Ref BR-4-35 Group Larrosa_I
14 21:18:16 20260216-1540-B400_B.14-14 17 H1_Night w12998gm + + - + - + + Ref BR-4-35 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/w12998gm/nmr/20260216-1540-B400_B.14-14/17/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/w12998gm/nmr/20260216-1540-B400_B.14-14/17/pdata/1/peaks!
56 21:10:32 20260216-1635-B400_B.14-56 10 H1_ExtraWide_Night b37463mo + + - + + + + Ref da10.01 Group Shaver_M pet c5 filtered hfip cdcl3
5 20:46:53 20260216-1109-B400_B.14-5 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM005 Group Cobb_S
4 20:22:19 20260216-1109-B400_B.14-4 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM004 Group Cobb_S
3 19:56:57 20260216-1109-B400_B.14-3 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM003 Group Cobb_S
2 19:32:22 20260216-1109-B400_B.14-2 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM002 Group Cobb_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 19:08:11 20260216-0104-B400_B.14-1 11 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM001 Group Cobb_S
49 18:51:11 20260216-1102-B400_B.14-49 11 C13_CPD_Night256 e66390fk + + - + + + + Ref fk006 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 18:50:36 20260216-0854-B400_B.14-18 11 H1_C13_HSQCed_Night h68355ac - - - - - - - Ref djp-oc-1023-s2-ch Group Procter_D
50 18:33:38 20260216-1801-B400_B.14-50 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC23-check Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55 18:27:55 20260216-1811-B400_B.14-55 10 H1_Day j40457bh + + - + + + + Ref bh ah 276 c1 fr26-30 Group Trowbridge_A
53 18:22:54 20260216-1811-B400_B.14-53 10 H1_Day j40457bh + + - + + + + Ref bh ah 273 c1s1 Group Trowbridge_A
52 18:17:42 20260216-1810-B400_B.14-52 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-714-P1 Group Trowbridge_A
51 18:13:12 20260216-1801-B400_B.14-51 10 H1_Day v73981ac + + - + + + + Ref ILAC175C-isolated Group Larrosa_I
50 18:08:47 20260216-1801-B400_B.14-50 10 H1_Day v73981ac + + - + + + + Ref ILAC23-check Group Larrosa_I
35 18:05:00 20260210-1407-B400_B.14-35 12 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-6hr-sametube3hr Group Larrosa_I
34 17:58:34 20260216-1349-B400_B.14-34 11 F19_NoCPD_Day f56027ch + + - + + + + Ref 1006d Group Schroder_M 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
33 17:53:53 20260216-1344-B400_B.14-33 11 F19_NoCPD_Day f56027ch + + - + + + + Ref 1006c Group Schroder_M 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
32 17:49:26 20260216-1339-B400_B.14-32 12 F19_NoCPD_Day f56027ch + + - + + + + Ref 1006b Group Schroder_M 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
31 17:44:26 20260216-1333-B400_B.14-31 11 F19_NoCPD_Day f56027ch + + - + + + + Ref 1006a Group Schroder_M 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
30 17:40:19 20260216-1735-B400_B.14-30 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-nextday-sametube Group Larrosa_I
29 17:38:41 20260216-1257-B400_B.14-29 12 Al27_Day j20588jh - + - - - + + Ref JH-DW-39.10.2 - DippZnAlCl PhTeTePh Group Willcox_D Benzene filt sref: NUCLEUS '27Al' 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/j20588jh/nmr/20260216-1257-B400_B.14-29/12/pdata/1/peaks!, sref: NUCLEUS '27Al' 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/j20588jh/nmr/20260216-1257-B400_B.14-29/12/pdata/1/peaks!
29 17:34:35 20260216-1257-B400_B.14-29 11 H1_Day j20588jh + + - + + + + Ref JH-DW-39.10.2 - DippZnAlCl PhTeTePh Group Willcox_D Benzene filt
28 17:29:57 20260216-1722-B400_B.14-28 10 H1_Day h91839em + + - + + + + Ref gc em 261 f28-f30 Group Crisenza_G
27 17:25:51 20260216-1713-B400_B.14-27 10 H1_Day c37930an + + - + + + + Ref GM33A Group Liddle_S ThCl4DME2 after 3 weeks
26 17:10:52 20260216-1632-B400_B.14-26 11 C13_CPD_Night256 t99505xy - + - - - + + Ref bptp-oh-c Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:06:30 20260216-1632-B400_B.14-26 10 H1_Day t99505xy + + - + + + + Ref bptp-oh-h Group Schroder_M
25 17:01:51 20260216-1642-B400_B.14-25 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-mtbu-nextday Group Larrosa_I
24 16:57:21 20260216-1603-B400_B.14-24 10 H1_Day s38708sb + + - + + + + Ref SB07_FRD2 Group Gardiner_J
23 16:52:56 20260216-1642-B400_B.14-23 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-nextday Group Larrosa_I
22 16:48:08 20260216-1614-B400_B.14-22 10 H1_Day k03582jd + + - + + + + Ref JDR41 Group Procter_D
21 16:43:10 20260216-1614-B400_B.14-21 10 H1_Day k03582jd + + - + + + + Ref JDR40 Group Procter_D
20 16:36:09 20260216-1614-B400_B.14-20 10 H1_Day k03582jd + + - + + + + Ref JDR39 Group Procter_D
17 16:31:33 20260216-1543-B400_B.14-17 10 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Tb(II)-Evans-xwide-2 Group Goodwin_C
16 16:27:12 20260216-1543-B400_B.14-16 10 H1_ExtraWide_Day a76294rm + + - + x + + Ref REM-Tb(III)-Evans-xwide-2 Group Goodwin_C topshim: TopshimFieldMap - no valid data in sample centre, Shim failed, Lock anomaly during acquisition
15 16:23:33 20260216-1543-B400_B.14-15 10 H1_ExtraWide_Day a76294rm + + - + x + + Ref REM-Dy(II)-Evans-xwide-2 Group Goodwin_C topshim: TopshimFieldMap - signal-to-noise is too low: signal loss for long echo time, Shim failed
14 16:21:31 20260216-1540-B400_B.14-14 10 H1_Day w12998gm - - - - - - - Ref BR-4-35 Group Larrosa_I
13 16:15:46 20260216-1526-B400_B.14-13 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-922-003-P2 Group James_M 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 16:11:05 20260216-1526-B400_B.14-13 10 H1_Day c46714th + + - + + + + Ref TH-922-003-P2 Group James_M
12 16:06:41 20260216-1525-B400_B.14-12 10 H1_Day d93111sd + + - + + + + Ref IL-SD-179 Group Larrosa_I
11 16:01:41 20260216-1524-B400_B.14-11 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-178 Group Larrosa_I 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
11 15:57:22 20260216-1524-B400_B.14-11 10 H1_Day d93111sd + + - + + + + Ref IL-SD-178 Group Larrosa_I
10 15:51:21 20260216-1522-B400_B.14-10 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-130-py Group Larrosa_I 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 15:46:25 20260216-1522-B400_B.14-10 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-130-py Group Larrosa_I
9 15:42:17 20260216-1516-B400_B.14-9 10 F19_NoCPD_Day f56027ch + + - + + + + Ref pfas-dmso and h2so4 Group Schroder_M 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
8 15:37:29 20260216-1521-B400_B.14-8 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-130-nextday Group Larrosa_I 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 15:33:34 20260216-1521-B400_B.14-8 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-130-nextday Group Larrosa_I
7 15:28:34 20260216-1520-B400_B.14-7 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-94-6hr-a Group Larrosa_I 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 15:24:03 20260216-1520-B400_B.14-7 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-94-6hr-a Group Larrosa_I
6 15:21:44 20260216-1359-B400_B.14-6 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-19 p1 Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260216-1359-B400_B.14-6/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260216-1359-B400_B.14-6/11/pdata/1/peaks!
6 15:15:53 20260216-1359-B400_B.14-6 10 H1_Day c62220rg + + - + + + + Ref nk 1-19 p1 Group Trowbridge_A
53 15:11:52 20260216-1456-B400_B.14-53 11 F19_CPD_Day mbdxjsl5 - + - - - + + Ref SJL750_ox_Co Group Mcinnes_E 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
53 15:08:30 20260216-1456-B400_B.14-53 10 H1_ExtraWide_Day mbdxjsl5 + + - + x + + Ref SJL750_ox_Co Group Mcinnes_E topshim: TopshimFieldMap - signal-to-noise is too low: signal loss for long echo time, Shim failed
50 15:04:24 20260216-1444-B400_B.14-50 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-922-002-P1 Group James_M 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 14:58:24 20260216-1444-B400_B.14-50 10 H1_Day c46714th + + - + + + + Ref TH-922-002-P1 Group James_M
46 14:54:20 20260216-1434-B400_B.14-46 11 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Tb(II)-Evans-o01p-xwide-1 Group Goodwin_C
44 14:50:44 20260216-1427-B400_B.14-44 11 B11_CPD_Day b28949om - + - - - + + Ref OJM220b 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/b28949om/nmr/20260216-1427-B400_B.14-44/11/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/b28949om/nmr/20260216-1427-B400_B.14-44/11/pdata/1/peaks!
44 14:46:16 20260216-1427-B400_B.14-44 10 H1_Day b28949om + + - + + + + Ref OJM220b Group Goodwin_C
43 14:45:03 20260216-1434-B400_B.14-43 12 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Tb(III)-Evans-xwide-1 Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1434-B400_B.14-43/12/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1434-B400_B.14-43/12/pdata/1/peaks No peak is found in the specified ranges!
43 14:43:54 20260216-1434-B400_B.14-43 11 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Tb(III)-Evans-xwide-1 Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1434-B400_B.14-43/11/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1434-B400_B.14-43/11/pdata/1/peaks No peak is found in the specified ranges!
43 14:40:09 20260216-1434-B400_B.14-43 10 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Tb(III)-Evans-xwide-1 Group Goodwin_C
42 14:38:53 20260216-1420-B400_B.14-42 13 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Dy(II)-Evans-xwide-1 Group Goodwin_C
42 14:37:38 20260216-1420-B400_B.14-42 12 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Dy(II)-Evans-xwide-1 Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1420-B400_B.14-42/12/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1420-B400_B.14-42/12/pdata/1/peaks No peak is found in the specified ranges!
42 14:33:20 20260216-1420-B400_B.14-42 11 H1_ExtraWide_Day a76294rm + + - + + + + Ref REM-Dy(II)-Evans-xwide-1 Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1420-B400_B.14-42/11/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1420-B400_B.14-42/11/pdata/1/peaks No peak is found in the specified ranges!
41 14:27:36 20260216-1351-B400_B.14-41 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-20 F37 Group Riddell_I
40 14:26:23 20260216-1351-B400_B.14-40 13 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Tb(II)-Evans-xwide Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1351-B400_B.14-40/13/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1351-B400_B.14-40/13/pdata/1/peaks No peak is found in the specified ranges!
40 14:25:15 20260216-1351-B400_B.14-40 12 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Tb(II)-Evans-xwide Group Goodwin_C pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1351-B400_B.14-40/12/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Goodwin_C/data/a76294rm/nmr/20260216-1351-B400_B.14-40/12/pdata/1/peaks No peak is found in the specified ranges!
40 14:23:50 20260216-1351-B400_B.14-40 11 H1_ExtraWide_Day a76294rm - + - - - + + Ref REM-Tb(II)-Evans-xwide Group Goodwin_C
40 14:18:06 20260216-1351-B400_B.14-40 10 H1_Day a76294rm + + - + + + + Ref REM-Tb(II)-Evans Group Goodwin_C
38 14:15:17 20260216-1338-B400_B.14-38 11 F19_CPD_Day mbdxjsl5 - + - - - + + Ref SJL750_Ox_Cu Group Mcinnes_E 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 14:11:23 20260216-1338-B400_B.14-38 10 H1_ExtraWide_Day mbdxjsl5 + + - + + + + Ref SJL750_Ox_Cu Group Mcinnes_E
37 14:08:45 20260216-1337-B400_B.14-37 10 H1_ExtraWide_Day mbdxjsl5 - - - - - - - Ref SJL570_Ox_Co Group Mcinnes_E
36 14:04:36 20260216-1349-B400_B.14-36 10 H1_Day a76294rm + + - + + + + Ref REM-Tb(III)-Evans-1 Group Goodwin_C
34 14:00:09 20260216-1349-B400_B.14-34 10 H1_Day a76294rm + + - + x + + Ref REM-Dy(II)-Evans_1 Group Goodwin_C topshim: TopshimFieldMap - signal-to-noise is too low: signal loss for long echo time, Shim failed
33 13:55:28 20260216-1344-B400_B.14-33 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1025-is Group Procter_D
32 13:51:44 20260216-1339-B400_B.14-32 11 B11_CPD_Day b28949om - + - - - + + Ref OJM220a 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/b28949om/nmr/20260216-1339-B400_B.14-32/11/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/b28949om/nmr/20260216-1339-B400_B.14-32/11/pdata/1/peaks!
32 13:47:19 20260216-1339-B400_B.14-32 10 H1_Day b28949om + + - + + + + Ref OJM220a Group Goodwin_C
31 13:42:50 20260216-1333-B400_B.14-31 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-755-(d)-col Group Greaney_M
30 13:38:18 20260216-1257-B400_B.14-30 10 H1_Day e66390fk + + - + + + + Ref fk061 Group Gardiner_J
29 13:33:41 20260216-1257-B400_B.14-29 10 H1_Day e66390fk + + - + + + + Ref Disaccharide OPiv Group Gardiner_J
28 13:29:10 20260216-1302-B400_B.14-28 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004r t2=methylated product Group Other
27 13:24:58 20260216-1301-B400_B.14-27 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004r t1=methylated product Group Other
25 13:20:03 20260216-1234-B400_B.14-25 10 F19_CPD_Day q25190ha + + - + + + + Ref REWP HA008 SM Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 13:15:48 20260216-1304-B400_B.14-8 10 H1_Day b37463mo + + - + + + + Ref CS_CO2TMPTGE_3 Group Shaver_M CO2 cycloaddition to TMPTGE, 1.5 bar CO2
7 13:11:05 20260216-1304-B400_B.14-7 10 H1_Day b37463mo + + - + + + + Ref CS_CO2TMPTGE_2 Group Shaver_M CO2 cycloaddition to TMPTGE, 6 h
52 13:06:47 20260216-1241-B400_B.14-52 10 H1_Day e29948ec + + - + + + + Ref 7-10 Group Crisenza_G
51 13:01:59 20260216-1239-B400_B.14-51 10 H1_Day e29948ec + + - + + + + Ref 36-42 Group Crisenza_G
47 12:57:32 20260213-1519-B400_B.14-47 12 H1_Day h68355ac + + - + + + + Ref djp-oc-1024-is Group Greaney_M
46 12:52:53 20260216-1251-B400_B.14-46 10 H1_Day v73981ac + + - + + + + Ref ILAC174-filtrate Group Larrosa_I
44 12:48:37 20260216-1239-B400_B.14-44 10 H1_Day e29948ec + + - + + + + Ref 14-18 Group Crisenza_G
43 12:43:24 20260216-1239-B400_B.14-43 10 H1_Day e29948ec + + - + + + + Ref 21-35 Group Crisenza_G
42 12:25:18 20260216-1120-B400_B.14-42 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC174-crystals Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 12:21:48 20260216-1203-B400_B.14-33 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016 D Pip dry C6D6 25 mg Group James_M
32 12:19:35 20260216-1202-B400_B.14-32 11 F19_CPD_Day mbdxjsl5 - + - - - + + Ref SJL707E Group Mcinnes_E 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 12:16:00 20260216-1202-B400_B.14-32 10 H1_ExtraWide_Day mbdxjsl5 + + - + + + + Ref SJL707E Group Mcinnes_E
31 12:13:31 20260216-1201-B400_B.14-31 11 F19_CPD_Day mbdxjsl5 - + - - - + + Ref SJL734 Group Mcinnes_E 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 12:09:55 20260216-1201-B400_B.14-31 10 H1_ExtraWide_Day mbdxjsl5 + + - + + + + Ref SJL734 Group Mcinnes_E
30 12:07:36 20260216-1200-B400_B.14-30 11 F19_CPD_Day mbdxjsl5 - + - - - + + Ref SJL700C Group Mcinnes_E 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 12:03:48 20260216-1200-B400_B.14-30 10 H1_ExtraWide_Day mbdxjsl5 + + - + + + + Ref SJL700C Group Mcinnes_E
6 11:59:12 20260216-1154-B400_B.14-6 10 H1_Day v73981ac + + - + + + + Ref ILAC174-crystals2 Group Larrosa_I
60 11:53:30 20260216-1150-B400_B.14-60 10 H1_Day x25009jo + + - + + + + Ref GDB-IP-022-1 CDCl3 Group DeBo_G
59 11:49:21 20260216-1141-B400_B.14-59 10 F19_CPD_Day v73981ac + + - + - + + Ref LC12 Group Larrosa_I
55 11:44:47 20260216-1137-B400_B.14-55 10 F19_NoCPD_Day f56027ch + + - + + + + Ref pfas-d2o Group Schroder_M 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
50 11:40:21 20260216-1130-B400_B.14-50 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-benzidine(CDCl3) Group Riddell_I
46 11:36:09 20260216-1130-B400_B.14-46 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-benzidine(MeCN) Group Riddell_I
45 11:34:48 20260216-1129-B400_B.14-45 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK487 Group Mills_D JEK487
45 11:30:11 20260216-1129-B400_B.14-45 10 H1_Day m69065je + + - + + + + Ref JEK487 Group Mills_D JEK487
42 11:25:12 20260216-1120-B400_B.14-42 10 H1_Day v73981ac + + - + + + + Ref ILAC174-crystals Group Larrosa_I
41 11:22:46 20260216-1106-B400_B.14-41 11 F19_CPD_Day q25190ha - + - - - + + Ref REPW HA024 b 2 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
41 11:18:04 20260216-1106-B400_B.14-41 10 H1_Day q25190ha + + - + + + + Ref REPW HA024 b 2 Group Winpenny_R
6 11:14:25 20260216-1111-B400_B.14-6 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC12 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/20260216-1111-B400_B.14-6/10/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/20260216-1111-B400_B.14-6/10/pdata/1/peaks!
50 11:09:58 20260216-1105-B400_B.14-50 10 H1_Day f09303eg + + - + + + + Ref dte31 Group Webb_S
49 11:05:22 20260216-1102-B400_B.14-49 10 H1_Day e66390fk + + - + + + + Ref fk006 Group Gardiner_J
36 11:01:20 20260216-1059-B400_B.14-36 10 F19_NoCPD_Day f56027ch + + - + + + + Ref bare pfas Group Schroder_M 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
23 10:52:53 20260216-1047-B400_B.14-23 10 H1_Day m19368jb + + - + + + + Ref AK-JB-CBW Group Keerthi_A Juliet Barclay JB-CBW CDCl3
22 10:47:54 20260216-1046-B400_B.14-22 10 H1_Day m19368jb + + - + + + + Ref AK-JB-CB1 Group Keerthi_A Juliet Barclay JB-CB1 CDCl3
21 10:02:38 20260216-0952-B400_B.14-21 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC175C-p2 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/20260216-0952-B400_B.14-21/10/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/20260216-0952-B400_B.14-21/10/pdata/1/peaks!
20 09:48:05 20260216-0941-B400_B.14-20 11 C13_CPD_Night256 h68355ac - + - - - + + Ref djp-oc-1023-ac-s1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20 09:41:56 20260216-0941-B400_B.14-20 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1023-ac-s1 Group Procter_D
18 08:55:46 20260216-0854-B400_B.14-18 10 H1_Night h68355ac + + - + + + + Ref djp-oc-1023-s2-ch Group Procter_D
1 01:05:32 20260216-0104-B400_B.14-1 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,5DiCF3isolated Group Procter_D
9 01:00:00 20260215-1709-B400_B.14-9 24 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 23:01:16 20260215-1709-B400_B.14-9 23 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
11 22:46:19 20260215-2238-B400_B.14-11 11 C13_CPD_Night256 q62112nk - + - - - + + Ref djp-nk-307B Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 22:42:16 20260215-2238-B400_B.14-11 10 H1_Day q62112nk + + - + + + + Ref djp-nk-307B Group Procter_D
10 22:38:12 20260215-2237-B400_B.14-10 10 H1_Day q62112nk + + - + + + + Ref djp-nk-1-307A Group Procter_D
9 22:00:00 20260215-1709-B400_B.14-9 22 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 21:10:00 20260215-1709-B400_B.14-9 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 20:40:00 20260215-1709-B400_B.14-9 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 20:12:07 20260215-1709-B400_B.14-9 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
13 20:07:54 20260215-1956-B400_B.14-13 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-145-CRM Group Larrosa_I
12 20:03:06 20260215-1955-B400_B.14-12 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-144-CRM Group Larrosa_I
11 19:58:39 20260215-1953-B400_B.14-11 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-04-143-CRM Group Larrosa_I
10 19:54:35 20260215-1953-B400_B.14-10 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-04-142-CRM Group Larrosa_I
9 19:50:01 20260215-1709-B400_B.14-9 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 19:30:00 20260215-1709-B400_B.14-9 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 19:11:07 20260215-1709-B400_B.14-9 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
3 19:06:40 20260215-1859-B400_B.14-3 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-132-Methylation-CRM Group Larrosa_I
2 19:02:28 20260215-1858-B400_B.14-2 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-131-Methylation-CRM Group Larrosa_I
1 18:58:05 20260215-1857-B400_B.14-1 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-130-Methylation-CRM Group Larrosa_I
9 18:50:00 20260215-1709-B400_B.14-9 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
10 18:44:50 20260215-1844-B400_B.14-10 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-715cr Group Trowbridge_A
9 18:30:00 20260215-1709-B400_B.14-9 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
9 18:10:00 20260215-1709-B400_B.14-9 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
13 17:59:12 20260215-1712-B400_B.14-13 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-94__n Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
13 17:54:46 20260215-1712-B400_B.14-13 10 H1_Day d93111sd + + - + + + + Ref IL-SD-94__n Group Larrosa_I
9 17:50:13 20260215-1709-B400_B.14-9 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
12 17:40:21 20260215-1537-B400_B.14-12 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC175C 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/20260215-1537-B400_B.14-12/11/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/20260215-1537-B400_B.14-12/11/pdata/1/peaks!
12 17:36:54 20260215-1537-B400_B.14-12 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC175C 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/20260215-1537-B400_B.14-12/10/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/20260215-1537-B400_B.14-12/10/pdata/1/peaks!
9 17:31:43 20260215-1709-B400_B.14-9 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
11 17:26:07 20260215-1447-B400_B.14-11 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-138-CRM Group Larrosa_I
9 17:20:06 20260215-1709-B400_B.14-9 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-22 Group Leigh_D fuelled at 17:08 15/02/2026
10 15:48:42 20260215-1154-B400_B.14-10 10 F19_CPD_Night_1024 mbdxkrn2 + + - + + + + Ref GDB-RN1640-1 360min sonication MeCN wash phase - DCM-d2 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
9 14:18:51 20260215-1154-B400_B.14-9 10 F19_CPD_Night_1024 mbdxkrn2 + + - + + + + Ref GDB-RN1640-1 360min sonication MeCN-washed polymer - DCM-d2 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44 14:14:06 20260215-1024-B400_B.14-44 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-119fr Group Larrosa_I 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 14:10:10 20260215-1024-B400_B.14-44 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-119fr Group Larrosa_I
42 14:05:22 20260215-1023-B400_B.14-42 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-97fr Group Larrosa_I 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 14:01:36 20260215-1023-B400_B.14-42 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-97fr Group Larrosa_I
41 13:56:47 20260215-1021-B400_B.14-41 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-130-fr Group Larrosa_I 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 13:53:02 20260215-1021-B400_B.14-41 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-130-fr Group Larrosa_I
38 13:48:17 20260215-1020-B400_B.14-38 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-12-fr Group Larrosa_I 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 13:44:32 20260215-1020-B400_B.14-38 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-12-fr Group Larrosa_I
37 13:39:44 20260215-1019-B400_B.14-37 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-68-fr Group Larrosa_I 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
37 13:35:59 20260215-1019-B400_B.14-37 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-68-fr Group Larrosa_I
36 13:31:10 20260215-1018-B400_B.14-36 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-24-fr Group Larrosa_I 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 13:27:09 20260215-1018-B400_B.14-36 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-24-fr Group Larrosa_I
28 13:22:23 20260215-0904-B400_B.14-28 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-176- Group Larrosa_I 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 13:18:26 20260215-0904-B400_B.14-28 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-176- Group Larrosa_I
26 13:13:36 20260215-0902-B400_B.14-26 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137--fr Group Larrosa_I 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 13:09:17 20260215-0902-B400_B.14-26 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137--fr Group Larrosa_I
27 13:04:28 20260214-2258-B400_B.14-20 10 H1_Day v73981ac + + - + + + + Ref ILAC174-F4 Group Larrosa_I
20 12:59:31 20260214-2258-B400_B.14-19 10 H1_Day v73981ac + + - + + + + Ref ILAC174-F3 Group Larrosa_I
18 12:54:59 20260214-2258-B400_B.14-18 10 H1_Day v73981ac + + - + + + + Ref ILAC174-F2 Group Larrosa_I
16 12:50:23 20260214-2258-B400_B.14-16 10 H1_Day v73981ac + + - + + + + Ref ILAC174-F1 Group Larrosa_I
17 12:45:29 20260214-2143-B400_B.14-17 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-6hr Group Larrosa_I 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 12:41:25 20260214-2143-B400_B.14-17 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-6hr Group Larrosa_I
33 12:39:04 20260214-2025-B400_B.14-33 12 P31_CPD_Day w81612cw - + - - - + + Ref IL-CKW-PJ3-179 B filtrate 31P Group Mehta_M 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
33 12:33:51 20260214-2025-B400_B.14-33 11 F19_Quant_D1_8s_Day w81612cw - + - - - + + Ref IL-CKW-PJ3-179 B filtrate 19F quant Group Mehta_M 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 12:29:11 20260214-2025-B400_B.14-33 10 H1_Day w81612cw + + - + + + + Ref IL-CKW-PJ3-179 B filtrate 1H Group Mehta_M
49 12:24:55 20260214-1953-B400_B.14-49 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-141-CRM Group Larrosa_I
46 12:20:24 20260214-1951-B400_B.14-46 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-140-CRM Group Larrosa_I
43 12:15:50 20260214-1949-B400_B.14-43 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-139-CRM Group Larrosa_I
39 12:12:51 20260214-1949-B400_B.14-39 10 H1_Quant_NS1_Day y83900an - - - - - - - Ref IL-AMN-05-138-CRM Group Larrosa_I
55 12:07:47 20260214-1822-B400_B.14-55 10 H1_Day d93111sd + + - + + + + Ref IL-SD_173 Group Larrosa_I
40 12:02:41 20260214-1636-B400_B.14-40 10 H1_Day j40457bh + + - + + + + Ref bh ah 276 c1 fr32-52 Group Trowbridge_A
1 11:57:17 20260214-1454-B400_B.14-1 10 F19_NoCPD_Day t99505xy + + - + + + + Ref 1006a Group Schroder_M 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
34 11:42:52 20260214-1404-B400_B.14-34 11 C13_CPD_Night256 t99505xy - + - - - + + Ref chloranil-1.3.4-trizolate_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 11:38:27 20260214-1404-B400_B.14-34 10 H1_Day t99505xy + + - + + + + Ref chloranil-1.3.4-trizolate_H Group Schroder_M
32 11:24:00 20260214-1404-B400_B.14-32 12 C13_CPD_Night256 t99505xy - + - - - + + Ref melamine-1.3.4-trizolate_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 11:19:05 20260214-1404-B400_B.14-32 10 H1_Day t99505xy + + - + + + + Ref melamine-1.3.4-trizolate_H Group Schroder_M
31 11:04:38 20260214-1404-B400_B.14-31 11 C13_CPD_Night256 t99505xy - + - - - + + Ref melamine-1.3.4-trizolate_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 11:00:36 20260214-1404-B400_B.14-31 10 H1_Day t99505xy + + - + + + + Ref melamine-1.3.4-trizolate_H Group Schroder_M
30 10:45:32 20260214-1404-B400_B.14-30 11 C13_CPD_Night256 t99505xy - + - - - + + Ref melamine_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 10:41:26 20260214-1404-B400_B.14-30 10 H1_Day t99505xy + + - + + + + Ref melamine_H Group Schroder_M
25 10:36:31 20260214-1150-B400_B.14-25 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-175-fr Group Larrosa_I 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 10:32:48 20260214-1150-B400_B.14-25 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-175-fr Group Larrosa_I
24 10:27:52 20260214-1148-B400_B.14-24 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-168-fr Group Larrosa_I 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 10:23:59 20260214-1148-B400_B.14-24 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-168-fr Group Larrosa_I
23 10:19:01 20260214-1148-B400_B.14-23 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-162-fr Group Larrosa_I 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 10:15:17 20260214-1148-B400_B.14-23 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-162-fr Group Larrosa_I
22 10:10:17 20260214-1147-B400_B.14-22 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-149-fr Group Larrosa_I 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 10:06:03 20260214-1147-B400_B.14-22 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-149-fr Group Larrosa_I
13 10:01:05 20260214-1145-B400_B.14-13 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-136-fr Group Larrosa_I 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 09:57:08 20260214-1145-B400_B.14-13 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-136-fr Group Larrosa_I
12 09:51:54 20260214-1143-B400_B.14-12 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-111-fr Group Larrosa_I 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 09:47:38 20260214-1143-B400_B.14-12 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-111-fr Group Larrosa_I
29 09:02:13 20260213-1925-B400_B.14-29 15 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-006-04 Group James_M
29 08:43:49 20260213-1925-B400_B.14-29 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-006-04 Group James_M
29 08:31:30 20260213-1925-B400_B.14-29 13 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-006-04 Group James_M
29 08:29:18 20260213-1925-B400_B.14-29 12 H1_Night g23544jd - + - - - + + Ref ED-03-006-04 Group James_M
29 07:10:42 20260213-1925-B400_B.14-29 11 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-006-04 Group James_M
29 06:54:09 20260213-1925-B400_B.14-29 10 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-006-04 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 06:08:45 20260213-1923-B400_B.14-28 15 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-006-01 Group James_M
28 05:50:21 20260213-1923-B400_B.14-28 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-006-01 Group James_M
28 05:38:02 20260213-1923-B400_B.14-28 13 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-006-01 Group James_M
28 05:35:50 20260213-1923-B400_B.14-28 12 H1_Night g23544jd - + - - - + + Ref ED-03-006-01 Group James_M
28 04:17:12 20260213-1923-B400_B.14-28 11 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-006-01 Group James_M
28 04:00:18 20260213-1923-B400_B.14-28 10 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-006-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 03:41:54 20260213-1415-B400_B.14-44 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-916-p1 on Group James_M
44 03:29:09 20260213-1415-B400_B.14-44 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-916-p1 on Group James_M
44 03:17:14 20260213-1415-B400_B.14-44 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-916-p1 on Group James_M
44 03:09:54 20260213-1415-B400_B.14-44 12 F19_NoCPD_Night c46714th - + - - - + + Ref TH-916-p1 on Group James_M 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 02:55:22 20260213-1415-B400_B.14-44 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-916-p1 on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 02:50:20 20260213-1415-B400_B.14-44 10 H1_Night c46714th + + - + + + + Ref TH-916-p1 on Group James_M
26 02:35:35 20260212-1724-B400_B.14-26 13 C13_CPD_Night256 c37930an - + - - - + + Ref STL-AN-010_NBBr Group Liddle_S 13C_STL-AN-010_NBBr sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 02:23:50 20260212-1724-B400_B.14-26 12 H1_Night128 c37930an - + - - - + + Ref STL-AN-010_NBBr Group Liddle_S 1H_STL-AN-010_NBBr
26 02:09:47 20260212-1724-B400_B.14-26 11 B11_CPD_Night c37930an - + - - - + + Ref STL-AN-010_NBBr Group Liddle_S 11B_STL-AN-010_NBBr 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/Liddle_S/data/c37930an/nmr/20260212-1724-B400_B.14-26/11/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/Liddle_S/data/c37930an/nmr/20260212-1724-B400_B.14-26/11/pdata/1/peaks!
26 01:41:36 20260212-1724-B400_B.14-26 10 P31_CPD_Night c37930an + + - + + + + Ref STL-AN-010_NBBr Group Liddle_S 31P_STL-AN-010_NBBr sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Liddle_S/data/c37930an/nmr/20260212-1724-B400_B.14-26/10/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Liddle_S/data/c37930an/nmr/20260212-1724-B400_B.14-26/10/pdata/1/peaks!
21 01:39:22 20260212-1528-B400_B.14-21 15 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-129 Group James_M 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 01:15:44 20260212-1528-B400_B.14-21 14 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-129 Group James_M
21 00:57:20 20260212-1528-B400_B.14-21 13 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-129 Group James_M
21 00:42:55 20260212-1528-B400_B.14-21 12 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-129 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 00:31:02 20260212-1528-B400_B.14-21 11 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-129 Group James_M
21 00:26:15 20260212-1528-B400_B.14-21 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-129 Group James_M
15 00:02:33 20260212-1513-B400_B.14-15 17 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ-AS-01-029-P Group James_M
15 23:50:37 20260212-1513-B400_B.14-15 15 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ-AS-01-029-P Group James_M
15 23:32:13 20260212-1513-B400_B.14-15 14 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ-AS-01-029-P Group James_M
15 23:30:01 20260212-1513-B400_B.14-15 13 H1_Night a15978el - + - - - + + Ref MJJ-AS-01-029-P Group James_M
15 23:15:36 20260212-1513-B400_B.14-15 12 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ-AS-01-029-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 23:04:29 20260212-1513-B400_B.14-15 11 C13_DEPT135_Night a15978el + + - + + + + Ref MJJ-AS-01-029-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 23:00:01 20260214-1652-B400_B.14-45 22 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
11 22:52:55 20260214-1143-B400_B.14-11 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-109-fr Group Larrosa_I 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 22:48:11 20260214-1143-B400_B.14-11 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-109-fr Group Larrosa_I
52 22:35:56 20260213-2152-B400_B.14-52 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 292 (crude) Group Procter_D
18 22:28:15 20260213-1907-B400_B.14-18 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-137-CRM Group Larrosa_I 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
59 22:16:24 20260213-1853-B400_B.14-59 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 291 (crude) Group Procter_D
41 22:04:38 20260213-1852-B400_B.14-41 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 290 (crude) Group Procter_D
45 22:00:01 20260214-1652-B400_B.14-45 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
16 21:48:59 20260213-1907-B400_B.14-16 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-136-CRM Group Larrosa_I 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 21:34:29 20260213-1800-B400_B.14-14 11 C13_CPD_Night256 v73981ac - + - - - + + Ref LC13 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 21:29:38 20260213-1800-B400_B.14-14 10 H1_Day v73981ac + + - + + + + Ref LC13 Group Larrosa_I
42 21:14:42 20260213-1725-B400_B.14-42 11 C13_CPD_Night256 y01348dm - + - - - + + Ref ax_07 Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 21:10:22 20260213-1725-B400_B.14-42 10 H1_Day y01348dm + + - + + + + Ref ax_07 Group Keerthi_A
45 21:05:32 20260214-1652-B400_B.14-45 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
9 20:37:11 20260213-1606-B400_B.14-9 12 P31_Wide_Night w12998gm - + - - - + + Ref il-gm-10-009-c 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
9 20:22:22 20260213-1606-B400_B.14-9 11 C13_CPD_Night256 w12998gm - + - - - + + Ref il-gm-10-009-c Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 20:17:15 20260213-1606-B400_B.14-9 10 H1_Night w12998gm + + - + + + + Ref il-gm-10-009-c Group Larrosa_I
45 20:13:00 20260214-1652-B400_B.14-45 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
2 20:06:27 20260214-1459-B400_B.14-2 10 F19_NoCPD_Day t99505xy + + - + + + + Ref 1006b Group Schroder_M 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
38 19:49:14 20260213-1208-B400_B.14-38 11 C13_CPD_Night256 v73981ac + + - + + + + Ref LC10 Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 19:43:00 20260214-1652-B400_B.14-45 18 H1_Wide_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
3 19:38:00 20260214-1500-B400_B.14-3 10 F19_NoCPD_Day t99505xy + + - + + + + Ref 1006c Group Schroder_M 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
8 19:20:30 20260213-1034-B400_B.14-8 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC171C-final Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 19:15:12 20260214-1652-B400_B.14-45 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
57 18:57:49 20260211-1538-B400_B.14-57 12 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC170A Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 18:53:00 20260214-1652-B400_B.14-45 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
20 18:40:03 20260213-1608-B400_B.14-20 10 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-011-c-crude Group Larrosa_I
45 18:34:45 20260214-1652-B400_B.14-45 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
54 18:17:25 20260211-1141-B400_B.14-54 14 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC167C-final Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 18:13:00 20260214-1652-B400_B.14-45 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
19 18:01:06 20260213-1607-B400_B.14-19 10 H1_Quant_Night w12998gm - - - - - - - Ref il-gm-10-011-b-crude Group Larrosa_I
45 17:56:18 20260214-1652-B400_B.14-45 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
17 17:39:01 20260212-1523-B400_B.14-17 11 C13_CPD_Night256 p62982sr + + - + + + + Ref MIG-SJR-1-86 Group Gibson_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 17:33:06 20260214-1652-B400_B.14-45 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
27 17:27:42 20260214-1323-B400_B.14-27 10 H1_Day j40457bh + + - + + + + Ref bh ah cyc cond Group Trowbridge_A
10 17:18:56 20260213-1607-B400_B.14-10 10 H1_Quant_Night w12998gm + + - + + + + Ref il-gm-10-011-a-crude Group Larrosa_I
45 17:16:45 20260214-1652-B400_B.14-45 11 H1_Day a53046hl - + - - - + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
45 17:14:33 20260214-1652-B400_B.14-45 23 H1_Day a53046hl - + - - - + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
45 17:09:28 20260214-1652-B400_B.14-45 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-21 Group Leigh_D fuelled at 16:53 14/02/2026
39 16:51:03 20260212-1458-B400_B.14-39 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-916-P1on Group James_M
39 16:38:19 20260212-1458-B400_B.14-39 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-916-P1on Group James_M
39 16:26:27 20260212-1458-B400_B.14-39 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-916-P1on Group James_M
39 16:05:06 20260212-1458-B400_B.14-39 12 F19_NoCPD_Night c46714th - + - - - + + Ref TH-916-P1on Group James_M 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
39 15:50:40 20260212-1458-B400_B.14-39 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-916-P1on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 15:45:42 20260212-1458-B400_B.14-39 10 H1_Night c46714th + + - + + + + Ref TH-916-P1on Group James_M
7 15:00:17 20260211-2027-B400_B.14-7 15 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-005-02 Group James_M
7 14:41:53 20260211-2027-B400_B.14-7 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-005-02 Group James_M
7 14:29:34 20260211-2027-B400_B.14-7 13 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-005-02 Group James_M
7 14:27:22 20260211-2027-B400_B.14-7 12 H1_Night g23544jd - + - - - + + Ref ED-03-005-02 Group James_M
7 13:08:42 20260211-2027-B400_B.14-7 11 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-005-02 Group James_M
7 12:51:45 20260211-2027-B400_B.14-7 10 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-005-02 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 12:06:21 20260211-2026-B400_B.14-6 15 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-005-01 Group James_M
6 11:47:57 20260211-2026-B400_B.14-6 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-005-01 Group James_M
6 11:35:36 20260211-2026-B400_B.14-6 13 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-005-01 Group James_M
6 11:33:25 20260211-2026-B400_B.14-6 12 H1_Night g23544jd - + - - - + + Ref ED-03-005-01 Group James_M
6 10:14:49 20260211-2026-B400_B.14-6 11 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-005-01 Group James_M
6 09:57:40 20260211-2026-B400_B.14-6 10 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-005-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 09:45:47 20260211-1638-B400_B.14-22 14 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-130 Group James_M
22 09:33:27 20260211-1638-B400_B.14-22 13 H1_C13_HSQC_US_Night a15978el - + - - - + + Ref MJJ EL-04-130 Group James_M
22 09:15:04 20260211-1638-B400_B.14-22 12 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-130 Group James_M
22 09:00:32 20260211-1638-B400_B.14-22 11 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-130 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 08:56:08 20260211-1638-B400_B.14-22 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-130 Group James_M
32 08:37:44 20260211-1631-B400_B.14-32 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-917-P2on in DMSO Group James_M
32 08:24:58 20260211-1631-B400_B.14-32 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-917-P2on in DMSO Group James_M
32 08:13:12 20260211-1631-B400_B.14-32 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-917-P2on in DMSO Group James_M
32 08:05:29 20260211-1631-B400_B.14-32 12 F19_NoCPD_Night c46714th - + - - - + + Ref TH-917-P2on in DMSO Group James_M 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
32 07:50:55 20260211-1631-B400_B.14-32 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-917-P2on in DMSO Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 07:46:19 20260211-1631-B400_B.14-32 10 H1_Night c46714th + + - + + + + Ref TH-917-P2on in DMSO Group James_M
13 07:27:55 20260211-1628-B400_B.14-13 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-917-P1on Group James_M
13 07:15:12 20260211-1628-B400_B.14-13 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-917-P1on Group James_M
13 07:03:19 20260211-1628-B400_B.14-13 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-917-P1on Group James_M
13 06:56:02 20260211-1628-B400_B.14-13 12 F19_NoCPD_Night c46714th - + - - - + + Ref TH-917-P1on Group James_M 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 06:41:37 20260211-1628-B400_B.14-13 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-917-P1on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 06:37:20 20260211-1628-B400_B.14-13 10 H1_Night c46714th + + - + + + + Ref TH-917-P1on Group James_M
12 06:18:55 20260211-1627-B400_B.14-12 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-887-on Group James_M
12 06:06:15 20260211-1627-B400_B.14-12 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-887-on Group James_M
12 05:54:22 20260211-1627-B400_B.14-12 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-887-on Group James_M
12 05:46:50 20260211-1627-B400_B.14-12 12 F19_CPD_Night c46714th - + - - - + + Ref TH-887-on Group James_M 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 05:32:16 20260211-1627-B400_B.14-12 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-887-on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 05:27:58 20260211-1627-B400_B.14-12 10 H1_Night c46714th + + - + + + + Ref TH-887-on Group James_M
11 05:09:34 20260211-1626-B400_B.14-11 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-886-on Group James_M
11 04:57:14 20260211-1626-B400_B.14-11 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-886-on Group James_M
11 04:45:21 20260211-1626-B400_B.14-11 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-886-on Group James_M
11 04:30:26 20260211-1626-B400_B.14-11 12 C13_CPD_Night256 c46714th - + - - - + + Ref TH-886-on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 04:10:42 20260211-1626-B400_B.14-11 11 F19_CPD_Night c46714th - + - - - + + Ref TH-886-on Group James_M 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 04:06:05 20260211-1626-B400_B.14-11 10 H1_Night c46714th + + - + + + + Ref TH-886-on Group James_M
5 02:35:52 20260211-1544-B400_B.14-5 10 H1_Night128 j83970qc + + - + + + + Ref qc e766 psp dmecn Group DeBo_G
4 01:04:52 20260211-1544-B400_B.14-4 10 H1_Night128 j83970qc + + - + + + + Ref qc e765 psp dmecn Group DeBo_G
27 01:00:00 20260213-1737-B400_B.14-27 23 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
31 00:40:51 20260211-1630-B400_B.14-31 15 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-915-P1on Group James_M
31 00:28:07 20260211-1630-B400_B.14-31 14 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-915-P1on Group James_M
31 00:16:14 20260211-1630-B400_B.14-31 13 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-915-P1on Group James_M
31 00:04:52 20260211-1630-B400_B.14-31 12 F19_NoCPD_Night c46714th + + - + + + + Ref TH-915-P1on Group James_M 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 00:00:01 20260213-1737-B400_B.14-27 22 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
3 23:49:09 20260213-1002-B400_B.14-3 10 F19_CPD_Night x73847lm + + - + + + + Ref IR-LJM-01-103E Group Riddell_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
40 23:31:57 20260212-1234-B400_B.14-40 11 C13_CPD_Night256 t99505xy + + - + + + + Ref BTAB_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56 23:06:59 20260211-1205-B400_B.14-56 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-13 Group Cobb_S
27 23:02:16 20260213-1737-B400_B.14-27 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
60 22:58:28 20260213-2042-B400_B.14-60 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-catref-1 Group Larrosa_I
49 22:53:39 20260213-1735-B400_B.14-49 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-712-iso Group Trowbridge_A
55 22:29:39 20260211-1134-B400_B.14-55 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-12 Group Cobb_S
53 22:05:23 20260211-1124-B400_B.14-53 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-11 Group Cobb_S
27 22:00:49 20260213-1737-B400_B.14-27 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
43 21:56:50 20260213-1735-B400_B.14-43 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-708cr Group Trowbridge_A
46 21:52:14 20260213-1714-B400_B.14-46 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004 t4=methylated product Group Other
24 21:04:42 20260211-1425-B400_B.14-24 11 H1_NOESY_US_Night g23544jd + + - + + + + Ref ED-03-003-02 Group James_M
27 21:00:00 20260213-1737-B400_B.14-27 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
52 20:34:30 20260211-1122-B400_B.14-52 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-10 Group Cobb_S
27 20:30:00 20260213-1737-B400_B.14-27 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
51 20:04:56 20260211-1112-B400_B.14-51 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-09 Group Cobb_S
27 20:00:00 20260213-1737-B400_B.14-27 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
1 19:46:15 20260213-1000-B400_B.14-1 10 F19_CPD_Night x73847lm + + - + + + + Ref IR=LJM-02-21B Group Riddell_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
27 19:41:03 20260213-1737-B400_B.14-27 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
2 19:24:21 20260212-1029-B400_B.14-2 11 C13_CPD_Night256 w61916tz + + - + + + + Ref STL-XLD-I-5thcycle-drops of THF Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 19:20:01 20260213-1737-B400_B.14-27 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
45 19:14:23 20260213-1714-B400_B.14-45 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004 t3=methylated product Group Other
60 19:04:27 20260213-1000-B400_B.14-60 10 F19_CPD_Night x73847lm + + - + + + + Ref IR-LJM-02-21A Group Riddell_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
27 19:00:00 20260213-1737-B400_B.14-27 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
37 18:44:33 20260213-1716-B400_B.14-37 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 289 (crude) Group Procter_D
27 18:40:00 20260213-1737-B400_B.14-27 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
41 18:34:56 20260213-1622-B400_B.14-41 10 H1_Day f09303eg + + - + + + + Ref EG35 crude Group Webb_S
36 18:33:00 20260213-1708-B400_B.14-36 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-137 Group James_M 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 18:28:30 20260213-1708-B400_B.14-36 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-137 Group James_M
35 18:24:28 20260210-1407-B400_B.14-35 12 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-refcat-dil Group Larrosa_I
27 18:20:00 20260213-1737-B400_B.14-27 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
34 18:14:13 20260213-1707-B400_B.14-34 10 H1_Day s52134ad + + - + + + + Ref AJD J81a (CDCl3) Group Larrosa_I
33 18:12:19 20260213-1705-B400_B.14-33 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-889-crude Group James_M 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 18:07:59 20260213-1705-B400_B.14-33 10 H1_Day c46714th + + - + + + + Ref TH-889-crude Group James_M
27 18:03:14 20260213-1737-B400_B.14-27 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
30 17:56:15 20260213-1702-B400_B.14-30 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-135-CRM Group Larrosa_I 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 17:49:31 20260213-1702-B400_B.14-29 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-134-CRM Group Larrosa_I 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 17:44:23 20260213-1737-B400_B.14-27 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-20 Group Leigh_D fuellled at 17:40 13/02/2026
28 17:39:01 20260213-1646-B400_B.14-28 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1018-is Group Procter_D
25 17:30:06 20260213-1619-B400_B.14-25 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC174-crude Group Larrosa_I
25 17:25:26 20260213-1619-B400_B.14-25 10 H1_Quant_NS1_Day v73981ac + + - + + + + Ref ILAC174-crude Group Larrosa_I
23 17:20:28 20260213-1618-B400_B.14-23 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-diome Group Larrosa_I 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 17:14:42 20260213-1618-B400_B.14-23 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-diome Group Larrosa_I
18 17:10:54 20260213-1521-B400_B.14-18 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-16 pp1 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
18 17:05:47 20260213-1521-B400_B.14-18 10 H1_Day c62220rg + + - + + + + Ref nk 1-16 pp1 Group Trowbridge_A
16 17:00:59 20260213-1616-B400_B.14-16 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-f3mes Group Larrosa_I 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 16:57:02 20260213-1616-B400_B.14-16 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-f3mes Group Larrosa_I
14 16:52:16 20260213-1615-B400_B.14-14 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-fmes Group Larrosa_I 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 16:47:55 20260213-1615-B400_B.14-14 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-fmes Group Larrosa_I
59 16:43:38 20260213-1554-B400_B.14-59 10 H1_Day k48162ck + + - + + + + Ref HCl-salt-test Group Romanov_A
50 16:36:33 20260213-1535-B400_B.14-50 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-135-CRM Group Larrosa_I 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
49 16:28:38 20260213-1535-B400_B.14-49 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-134-CRM Group Larrosa_I 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
48 16:25:39 20260213-1520-B400_B.14-48 13 B11_CPD_Day m69065je - + - - - + + Ref JEK648_drd Group Mills_D JEK648_drd 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/20260213-1520-B400_B.14-48/13/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/20260213-1520-B400_B.14-48/13/pdata/1/peaks!
48 16:24:20 20260213-1520-B400_B.14-48 12 B11_NoCPD_Day m69065je - + - - - + + Ref JEK648_drd Group Mills_D JEK648_drd log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260213-1520-B400_B.14-48/12/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/20260213-1520-B400_B.14-48/12/pdata/1/peaks!
48 16:23:14 20260213-1520-B400_B.14-48 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK648_drd Group Mills_D JEK648_drd
48 16:18:49 20260213-1520-B400_B.14-48 10 H1_Day m69065je + + - + + + + Ref JEK648_drd Group Mills_D JEK648_drd
47 16:15:49 20260213-1519-B400_B.14-47 13 B11_CPD_Day m69065je - + - - - + + Ref JEK647_drd Group Mills_D JEK647_drd 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/20260213-1519-B400_B.14-47/13/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/20260213-1519-B400_B.14-47/13/pdata/1/peaks!
47 16:14:30 20260213-1519-B400_B.14-47 12 B11_NoCPD_Day m69065je - + - - - + + Ref JEK647_drd Group Mills_D JEK647_drd log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260213-1519-B400_B.14-47/12/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/20260213-1519-B400_B.14-47/12/pdata/1/peaks!
47 16:12:57 20260213-1519-B400_B.14-47 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK647_drd Group Mills_D JEK647_drd
47 16:08:31 20260213-1519-B400_B.14-47 10 H1_Day m69065je + + - + + + + Ref JEK647_drd Group Mills_D JEK647_drd
46 16:04:15 20260213-1500-B400_B.14-46 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004 t2=methylated product Group Other
45 16:00:00 20260213-1459-B400_B.14-45 10 H1_Day y27382tp + + - + + + + Ref MIG_TP004 t1=methylated product Group Other
43 15:58:12 20260213-1414-B400_B.14-43 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-923-001-rm Group James_M 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
43 15:53:24 20260213-1414-B400_B.14-43 10 H1_Day c46714th + + - + + + + Ref TH-923-001-rm Group James_M
42 15:41:30 20260213-1404-B400_B.14-42 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 273 (crude) Group Procter_D
41 15:29:31 20260213-1404-B400_B.14-41 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 272 (crude) Group Procter_D
37 15:26:02 20260213-1413-B400_B.14-37 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-922-001-rm Group James_M 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
37 15:21:47 20260213-1413-B400_B.14-37 10 H1_Day c46714th + + - + + + + Ref TH-922-001-rm Group James_M
36 15:17:21 20260213-1322-B400_B.14-36 10 H1_Day s52134ad + + - + + + + Ref AJD J83 (c) Group Larrosa_I
34 15:12:23 20260213-1311-B400_B.14-34 10 H1_Day m19368jb + + - + + + + Ref AK-JB-TNW Group Keerthi_A Juliet Barclay JB-TNW CDCl3
33 15:06:45 20260213-1309-B400_B.14-33 10 H1_Day m19368jb + + - + + + + Ref AK-JB-21C Group Keerthi_A Juliet Barclay JB-31C CDCl3
30 15:00:34 20260213-1254-B400_B.14-30 10 H1_Day w12998gm + + - + + + + Ref il-gm-10-005-col Group Larrosa_I
29 14:56:09 20260213-1254-B400_B.14-29 10 H1_Quant_NS1_Day w12998gm + + - + + + + Ref il-gm-10-010-crude-2h Group Larrosa_I
28 14:44:40 20260213-1253-B400_B.14-28 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-gm-10-007-quant Group Larrosa_I
25 14:40:35 20260213-1301-B400_B.14-25 10 H1_Day k48162ck + + - + + + + Ref PyNHC-CuCl-K2CO3(column) Group Romanov_A
23 14:35:45 20260213-1238-B400_B.14-23 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-so2ph Group Larrosa_I 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 14:32:01 20260213-1238-B400_B.14-23 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-so2ph Group Larrosa_I
20 14:27:16 20260213-1236-B400_B.14-20 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-5F Group Larrosa_I 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 14:23:34 20260213-1236-B400_B.14-20 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-5F Group Larrosa_I
19 14:18:20 20260213-1234-B400_B.14-19 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-nhcy Group Larrosa_I 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 14:14:39 20260213-1234-B400_B.14-19 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-nhcy Group Larrosa_I
18 14:09:53 20260213-1231-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1015-crude Group Procter_D
16 14:05:09 20260213-1224-B400_B.14-16 10 H1_Day m52750pm + + - + + + + Ref GCPM263cr Group Crisenza_G
14 14:00:05 20260213-1223-B400_B.14-14 10 H1_Day m52750pm + + - + + + + Ref GCPM264cr Group Crisenza_G
10 13:55:28 20260213-1222-B400_B.14-10 10 H1_Day e87754er + + - + + + + Ref zhb-a-138aaf Group Procter_D
9 13:50:47 20260213-1222-B400_B.14-9 10 H1_Day e87754er + + - + + + + Ref zhb-a-138aaa Group Procter_D
59 13:48:28 20260213-1113-B400_B.14-59 11 H1_Day b36621hr - + - - - + + Ref josh 2,4,6 Group Mills_D
59 13:45:14 20260213-1113-B400_B.14-59 10 Al27_Day b36621hr + + - + + + + Ref josh 2,4,6 Group Mills_D sref: NUCLEUS '27Al' 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/b36621hr/nmr/20260213-1113-B400_B.14-59/10/pdata/1/peaks!, sref: NUCLEUS '27Al' 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/b36621hr/nmr/20260213-1113-B400_B.14-59/10/pdata/1/peaks!
58 13:40:23 20260213-0952-B400_B.14-58 11 H1_Day h68355ac + + - + + + + Ref djp-oc-1014-crude Group Procter_D
50 13:35:48 20260213-1219-B400_B.14-50 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aq Group Procter_D
49 13:31:13 20260213-1219-B400_B.14-49 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad Group Procter_D
48 13:27:04 20260213-1220-B400_B.14-48 10 H1_Day e87754er + + - + + + + Ref zhb-a-138az Group Procter_D
47 13:22:43 20260213-1220-B400_B.14-47 10 H1_Day e87754er + + - + + + + Ref zhb-a-138at Group Procter_D
46 13:18:23 20260213-1220-B400_B.14-46 10 H1_Day e87754er + + - + + + + Ref zhb-a-138ar Group Procter_D
45 13:13:52 20260213-1218-B400_B.14-45 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138z Group Procter_D
44 13:08:51 20260213-1218-B400_B.14-44 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138y Group Procter_D
43 13:04:21 20260213-1218-B400_B.14-43 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138q Group Procter_D
42 12:59:40 20260213-1216-B400_B.14-42 10 H1_Day h91839em + + - + + + + Ref gc em 260 c Group Crisenza_G
41 12:55:24 20260213-1212-B400_B.14-41 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref ED-03-008-x Group James_M
38 12:50:43 20260213-1208-B400_B.14-38 10 H1_Day v73981ac + + - + + + + Ref LC10 Group Larrosa_I
37 12:40:50 20260213-1207-B400_B.14-37 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC12 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/20260213-1207-B400_B.14-37/11/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/20260213-1207-B400_B.14-37/11/pdata/1/peaks!
37 12:37:04 20260213-1207-B400_B.14-37 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC12 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/20260213-1207-B400_B.14-37/10/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/20260213-1207-B400_B.14-37/10/pdata/1/peaks!
36 12:32:49 20260213-1215-B400_B.14-36 10 H1_Day h91839em + + - + + + + Ref gc em 260 2x c Group Crisenza_G
35 12:28:07 20260210-1407-B400_B.14-35 12 H1_Day p10102hz + + - + + + + Ref zhb-a-138e Group Procter_D
34 12:22:56 20260213-1215-B400_B.14-34 10 H1_Day h91839em + + - + + + + Ref gc em 259 c Group Crisenza_G
33 12:17:31 20260213-1210-B400_B.14-33 10 H1_Day m52750pm + + - + + + + Ref GC_MP17_precipitate Group Crisenza_G
30 12:13:13 20260213-1024-B400_B.14-30 10 H1_Day v19233ne + + - + + + + Ref MIG-NE-NE002.1_150_t22 Group Other
29 12:09:20 20260213-0805-B400_B.14-29 11 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-032-RM Group James_M 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 12:06:46 20260212-1947-B400_B.14-28 13 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ-AS-01-031-RM Group James_M 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 12:02:03 20260212-1947-B400_B.14-28 12 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-031-RM Group James_M
25 12:00:30 20260213-1118-B400_B.14-25 11 Al27_Day b36621hr - + - - - + + Ref delilah 2,6 y3 Group Mills_D sref: NUCLEUS '27Al' 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/b36621hr/nmr/20260213-1118-B400_B.14-25/11/pdata/1/peaks!, sref: NUCLEUS '27Al' 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/b36621hr/nmr/20260213-1118-B400_B.14-25/11/pdata/1/peaks!
25 11:56:25 20260213-1118-B400_B.14-25 10 H1_Day b36621hr + + - + + + + Ref delilah 2,6 y3 Group Mills_D
23 11:54:04 20260213-1116-B400_B.14-23 11 H1_Day b36621hr - + - - - + + Ref ddj tertbut Group Mills_D
23 11:50:29 20260213-1116-B400_B.14-23 10 Al27_Day b36621hr + + - + + + + Ref ddj tertbut Group Mills_D sref: NUCLEUS '27Al' 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/b36621hr/nmr/20260213-1116-B400_B.14-23/10/pdata/1/peaks!, sref: NUCLEUS '27Al' 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/b36621hr/nmr/20260213-1116-B400_B.14-23/10/pdata/1/peaks!
20 11:46:27 20260213-1103-B400_B.14-20 10 H1_Day b37463mo + + - + + + + Ref MOR-93-b Group Shaver_M
19 11:41:40 20260213-1102-B400_B.14-19 10 H1_Day b37463mo + + - + + + + Ref MOR-sorb Group Shaver_M
18 11:36:29 20260213-1101-B400_B.14-18 10 H1_Day b37463mo + + - + + + + Ref mor-93-a Group Shaver_M
16 11:31:33 20260212-1712-B400_B.14-16 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137-v Group Larrosa_I 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 11:26:52 20260212-1712-B400_B.14-16 11 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137-v Group Larrosa_I
14 11:22:19 20260213-1055-B400_B.14-14 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-040-C Group Greaney_M
10 11:19:59 20260213-1048-B400_B.14-10 11 P31_CPD_Day q17816aj - + - - - + + Ref IR-AJ-032(combined) Group Riddell_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/q17816aj/nmr/20260213-1048-B400_B.14-10/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/q17816aj/nmr/20260213-1048-B400_B.14-10/11/pdata/1/peaks!
10 11:15:37 20260213-1048-B400_B.14-10 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-032(combined) Group Riddell_I
9 11:10:28 20260213-1039-B400_B.14-9 10 H1_Day k48162ck + + - + + + + Ref pynhc-cucl-k2co3 Group Romanov_A
8 11:05:47 20260213-1034-B400_B.14-8 10 H1_Day v73981ac + + - + + + + Ref ILAC171C-final Group Larrosa_I
59 11:01:15 20260213-0959-B400_B.14-59 10 H1_Day x73847lm + + - + + + + Ref IR_LJm-02-15 R2 res Group Riddell_I
58 10:58:58 20260213-0952-B400_B.14-58 10 H1_Day c62220rg - - - - - - - Ref at-rg-6-30d Group Trowbridge_A
57 10:54:25 20260211-1538-B400_B.14-57 11 H1_Day v73981ac + + - + + + + Ref ILAC170A Group Larrosa_I
54 10:49:52 20260211-1141-B400_B.14-54 13 H1_Day v73981ac + + - + + + + Ref ILAC167C-final Group Larrosa_I
50 10:45:07 20260213-1027-B400_B.14-50 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-709-iso Group Trowbridge_A
49 10:39:40 20260213-1005-B400_B.14-49 10 H1_Day f09303eg + + - + + + + Ref dte31 n3 Group Webb_S
48 10:33:59 20260213-0952-B400_B.14-48 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-30c Group Trowbridge_A
47 10:29:29 20260213-0951-B400_B.14-47 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-30b Group Trowbridge_A
46 10:24:31 20260213-0951-B400_B.14-46 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-30a Group Trowbridge_A
45 10:20:25 20260213-0936-B400_B.14-45 10 H1_Day f56027ch + + - + + + + Ref Br py deprotector new thynsesised Group Schroder_M
44 10:15:34 20260212-2136-B400_B.14-44 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-catmtbu Group Larrosa_I 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 10:11:37 20260212-2136-B400_B.14-44 11 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-catmtbu Group Larrosa_I
43 10:06:49 20260213-0931-B400_B.14-43 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-143-fresh Group Larrosa_I 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
43 10:03:08 20260213-0931-B400_B.14-43 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-143-fresh Group Larrosa_I
42 09:57:28 20260213-0927-B400_B.14-42 10 H1_Day e72206ov + + - + + + + Ref ov-002-c 2nd col Group DeBo_G
41 09:51:40 20260213-0911-B400_B.14-41 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1017-is Group Procter_D
38 09:46:52 20260213-0909-B400_B.14-38 10 H1_Day k03582jd + + - + + + + Ref JDR38 Group Procter_D
36 09:42:36 20260213-0907-B400_B.14-36 10 H1_Day t91715jk + + - + + + + Ref JK127 DP10 cyclic in chloro Group Gibson_M JK127 DP10 cyclic in chloro
35 09:35:08 20260210-1407-B400_B.14-35 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137-fresh Group Larrosa_I 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 09:31:16 20260210-1407-B400_B.14-35 12 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137-fresh Group Larrosa_I
34 09:25:46 20260213-0907-B400_B.14-34 10 H1_Day t91715jk + + - + + + + Ref JK127 DP25 cyclic in chloro Group Gibson_M JK127 DP25 cyclic in chloro
33 09:20:47 20260213-0907-B400_B.14-33 10 H1_Day t91715jk + + - + + + + Ref JK127 DP50 cyclic in chloro Group Gibson_M JK127 DP50 cyclic in chloro
31 09:05:54 20260211-1630-B400_B.14-31 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-915-P1on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 09:00:09 20260211-1630-B400_B.14-31 10 H1_Night c46714th + + - + + + + Ref TH-915-P1on Group James_M
58 08:55:13 20260212-2340-B400_B.14-58 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-thiophboroxagain Group Procter_D
36 08:50:14 20260212-1825-B400_B.14-36 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-prevcat_fmes Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
36 08:45:37 20260212-1825-B400_B.14-36 10 H1_Day d93111sd + + - + + + + Ref IL-SD-prevcat_fmes Group Larrosa_I
35 08:39:57 20260210-1407-B400_B.14-35 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-prevcat_f3mes Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
35 08:35:00 20260210-1407-B400_B.14-35 12 H1_Day d93111sd + + - + + + + Ref IL-SD-prevcat_f3mes Group Larrosa_I
33 08:21:16 20260213-0806-B400_B.14-33 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1614 - Acetone-d6 Group DeBo_G
29 08:07:15 20260213-0805-B400_B.14-29 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1615 - Acetone-d6 Group DeBo_G
28 08:01:45 20260212-1947-B400_B.14-28 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-2hr Group Larrosa_I 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 07:57:10 20260212-1947-B400_B.14-28 10 H1_Day d93111sd + + - + + + + Ref IL-SD-96-2hr Group Larrosa_I
20 07:52:41 20260212-1720-B400_B.14-20 10 H1_Day m52750pm + + - + + + + Ref GCPM261F3 Group Crisenza_G
19 07:48:24 20260212-1716-B400_B.14-19 11 H1_Day m52750pm + + - + + + + Ref GCPM261F2 Group Crisenza_G
18 07:43:54 20260212-1720-B400_B.14-18 10 H1_Day m52750pm + + - + + + + Ref GCPM261F1 Group Crisenza_G
16 07:39:48 20260212-1712-B400_B.14-16 10 H1_Day z88883sp + + - + + + + Ref RH12 Group Romanov_A
14 07:35:29 20260212-1711-B400_B.14-14 10 H1_Day z88883sp + + - + + + + Ref RH11a Group Romanov_A Hexane insoluble
8 07:23:25 20260212-1702-B400_B.14-8 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 285 (crude) Group Procter_D
50 06:58:52 20260211-1111-B400_B.14-50 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-08 Group Cobb_S
25 06:13:30 20260211-1426-B400_B.14-25 11 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-003-03 Group James_M
25 06:08:24 20260211-1426-B400_B.14-25 10 H1_Night g23544jd + + - + + + + Ref ED-03-003-03 Group James_M
42 05:23:03 20260209-2003-B400_B.14-42 16 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-004-04-w Group James_M
42 05:10:44 20260209-2003-B400_B.14-42 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-004-04-w Group James_M
42 05:08:32 20260209-2003-B400_B.14-42 13 H1_Night g23544jd - + - - - + + Ref ED-03-004-04-w Group James_M
42 03:46:52 20260209-2003-B400_B.14-42 12 H1_COSY_NS32_Night g23544jd + + - + + + + Ref ED-03-004-04-w Group James_M
41 03:01:29 20260209-2002-B400_B.14-41 16 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-004-04-y Group James_M
41 02:49:09 20260209-2002-B400_B.14-41 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-004-04-y Group James_M
41 02:30:46 20260209-2002-B400_B.14-41 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-004-04-y Group James_M
41 02:28:34 20260209-2002-B400_B.14-41 13 H1_Night g23544jd - + - - - + + Ref ED-03-004-04-y Group James_M
41 01:07:27 20260209-2002-B400_B.14-41 12 H1_COSY_NS32_Night g23544jd + + - + + + + Ref ED-03-004-04-y Group James_M
27 01:02:47 20260211-1742-B400_B.14-27 342 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
45 00:58:26 20260212-2137-B400_B.14-45 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-305-p2 Group Procter_D
10 00:41:33 20260212-0914-B400_B.14-10 10 C13_CPD_Night256 g51050xx + + - + + + + Ref xxt-25-h Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 00:17:02 20260211-1100-B400_B.14-49 12 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-07 Group Cobb_S
27 00:12:22 20260211-1742-B400_B.14-27 341 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
9 00:01:27 20260212-0914-B400_B.14-9 10 C13_DEPT90_Night g51050xx + + - + + + + Ref xxt-25-q Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 23:37:47 20260211-1100-B400_B.14-48 12 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-06 Group Cobb_S
47 23:13:29 20260210-1644-B400_B.14-47 12 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-05 Group Cobb_S
24 23:09:00 20260211-1425-B400_B.14-24 10 H1_Night g23544jd + + - + + + + Ref ED-03-003-02 Group James_M
23 22:23:36 20260211-1425-B400_B.14-23 11 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-003-01 Group James_M
23 22:19:04 20260211-1425-B400_B.14-23 10 H1_Night g23544jd + + - + + + + Ref ED-03-003-01 Group James_M
27 22:14:29 20260211-1742-B400_B.14-27 340 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
34 21:59:58 20260211-2034-B400_B.14-34 11 C13_CPD_Night256 n29715ss - + - - - + + Ref DJP-SS-4CF3isolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 21:55:42 20260211-2034-B400_B.14-34 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-4CF3isolated Group Procter_D
33 21:38:43 20260211-2032-B400_B.14-33 11 C13_CPD_Night256 n29715ss + + - + + + + Ref DJP-SS-2Fisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 21:14:32 20260210-1644-B400_B.14-46 12 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-04 Group Cobb_S
27 21:10:05 20260211-1742-B400_B.14-27 339 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
45 20:45:49 20260211-1041-B400_B.14-45 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-03 Group Cobb_S
27 20:41:06 20260211-1742-B400_B.14-27 338 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
44 20:16:54 20260211-1038-B400_B.14-44 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-02 Group Cobb_S
27 20:11:22 20260211-1742-B400_B.14-27 337 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
3 20:04:25 20260212-1634-B400_B.14-3 11 F19_NoCPD_Night c46714th - + - - - + + Ref TH-908-p rerun for F Group James_M 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 19:59:22 20260212-1634-B400_B.14-3 10 H1_Night c46714th + + - + + + + Ref TH-908-p rerun for F Group James_M
33 19:54:50 20260211-2032-B400_B.14-33 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-2Fisolated Group Procter_D
27 19:50:00 20260211-1742-B400_B.14-27 336 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
1 19:44:15 20260212-1629-B400_B.14-1 10 H1_Day a76294rm + + - + + + + Ref REM-KSc-2month_test Group Goodwin_C
27 19:39:12 20260211-1742-B400_B.14-27 335 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
59 19:25:41 20260212-1617-B400_B.14-59 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-137-c Group James_M 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
59 19:20:38 20260212-1617-B400_B.14-59 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-137-c Group James_M
27 19:15:52 20260211-1742-B400_B.14-27 334 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
60 18:58:36 20260210-1659-B400_B.14-60 11 C13_CPD_Night256 r62071ja + + - + + + + Ref JS.13-28 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 18:53:24 20260211-1742-B400_B.14-27 333 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
30 18:48:21 20260212-1822-B400_B.14-30 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-prevcat_diome Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
30 18:44:22 20260212-1822-B400_B.14-30 10 H1_Day d93111sd + + - + + + + Ref IL-SD-prevcat_diome Group Larrosa_I
29 18:39:26 20260212-1821-B400_B.14-29 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-prevcat_5F Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
29 18:35:13 20260212-1821-B400_B.14-29 10 H1_Day d93111sd + + - + + + + Ref IL-SD-prevcat_5F Group Larrosa_I
27 18:30:36 20260211-1742-B400_B.14-27 332 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
28 18:25:32 20260212-1820-B400_B.14-28 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-143p Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
28 18:21:13 20260212-1820-B400_B.14-28 10 H1_Day d93111sd + + - + + + + Ref IL-SD-143p Group Larrosa_I
27 18:14:53 20260211-1742-B400_B.14-27 331 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
30 18:08:37 20260212-1754-B400_B.14-30 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-186 spot 2 Group DeBo_G
30 18:04:04 20260212-1754-B400_B.14-30 10 H1_Day z40973rs + + - + + + + Ref gdb-rs-186 spot 2 Group DeBo_G
29 17:59:55 20260212-1736-B400_B.14-29 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-703-3 Group Trowbridge_A
28 17:55:29 20260212-1727-B400_B.14-28 10 H1_Day z88883sp + + - + + + + Ref RH11b Group Romanov_A Hexane soluble
27 17:50:31 20260211-1742-B400_B.14-27 330 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-19 Group Leigh_D fuelled at 17:47 12/02/2026
58 17:45:43 20260212-1617-B400_B.14-58 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-136-c Group James_M 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
58 17:41:12 20260212-1617-B400_B.14-58 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-136-c Group James_M
43 17:37:16 20260212-1616-B400_B.14-43 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ EL-04-136 nuc Group James_M 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 17:35:15 20260212-1628-B400_B.14-38 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-918-005-P1 Group James_M 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 17:30:38 20260212-1628-B400_B.14-38 10 H1_Day c46714th + + - + + + + Ref TH-918-005-P1 Group James_M
36 17:26:37 20260212-1614-B400_B.14-36 10 H1_Day s52134ad + + - + + + + Ref AJD J81c (c) Group Larrosa_I
30 17:22:19 20260212-1612-B400_B.14-30 10 H1_Day s52134ad + + - + + + + Ref AJD J81b (c) Group Larrosa_I
29 17:18:13 20260212-1612-B400_B.14-29 10 H1_Day s52134ad + + - + + + + Ref AJD J81a (c) Group Larrosa_I
28 17:13:58 20260212-1540-B400_B.14-28 10 H1_Day y83620jc + + - + + + + Ref ja-jc-d4 Group Other
26 17:09:43 20260212-1539-B400_B.14-26 10 H1_Day y83620jc + + - + + + + Ref ja-jc-d3 Group Other
20 17:05:19 20260212-1525-B400_B.14-20 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-500-cr Group Procter_D
19 17:01:21 20260212-1525-B400_B.14-19 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-499-cr Group Procter_D
18 16:56:58 20260212-1525-B400_B.14-18 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-498-cr Group Procter_D
17 16:52:28 20260212-1523-B400_B.14-17 10 H1_Day p62982sr + + - + + + + Ref MIG-SJR-1-86 Group Gibson_M
16 16:47:46 20260212-1522-B400_B.14-16 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-710-iso Group Trowbridge_A
15 16:43:23 20260212-1513-B400_B.14-15 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-029-P Group James_M
14 16:41:04 20260212-1505-B400_B.14-14 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-17 ms p1 Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0
14 16:36:32 20260212-1505-B400_B.14-14 10 H1_Day c62220rg + + - + + + + Ref nk 1-17 ms p1 Group Trowbridge_A
8 16:31:29 20260212-1508-B400_B.14-8 10 H1_Day e29948ec + + - + + + + Ref GCEC alkyne benzylation using MeCN Group Crisenza_G
3 16:25:06 20260212-1456-B400_B.14-3 11 H1_COSY_Day n29715ss - + - - - + + Ref DJP-SS-normlarxn Group Procter_D
3 16:20:11 20260212-1456-B400_B.14-3 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-normlarxn Group Procter_D
1 16:15:19 20260212-1421-B400_B.14-1 10 H1_Day e66390fk + + - + + + + Ref fk51111 Group Gardiner_J
59 16:10:55 20260212-1454-B400_B.14-59 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4so2me Group Procter_D
58 16:06:36 20260212-1454-B400_B.14-58 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4morhpholino Group Procter_D
43 16:01:55 20260212-1453-B400_B.14-43 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-thiophboroxine Group Procter_D
38 15:59:34 20260212-1457-B400_B.14-38 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-919-002-boc cr Group James_M 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 15:55:06 20260212-1457-B400_B.14-38 10 H1_Day c46714th + + - + + + + Ref TH-919-002-boc cr Group James_M
37 15:52:54 20260212-1208-B400_B.14-37 13 H1_Day f25045cc - + - - - + + Ref cjc-dw-9-glovebox_Ru_Intm Group Willcox_D
37 15:49:31 20260212-1208-B400_B.14-37 12 B11_CPD_Day f25045cc - + - - - + + Ref cjc-dw-9-glovebox_Ru_Intm Group Willcox_D 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/Willcox_D/data/f25045cc/nmr/20260212-1208-B400_B.14-37/12/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/Willcox_D/data/f25045cc/nmr/20260212-1208-B400_B.14-37/12/pdata/1/peaks!
37 15:45:01 20260212-1208-B400_B.14-37 11 P31_CPD_Day f25045cc + + - + + + + Ref cjc-dw-9-glovebox_Ru_Intm 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
36 15:40:06 20260212-1444-B400_B.14-36 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD_prevcat_Ncy Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
36 15:35:57 20260212-1444-B400_B.14-36 10 H1_Day d93111sd + + - + + + + Ref IL-SD_prevcat_Ncy Group Larrosa_I
35 15:30:50 20260210-1407-B400_B.14-35 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD_precat_so2ph Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
35 15:26:39 20260210-1407-B400_B.14-35 12 H1_Day d93111sd + + - + + + + Ref IL-SD_precat_so2ph Group Larrosa_I
30 15:21:54 20260212-1440-B400_B.14-30 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-prevcat_mtbu Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
30 15:17:09 20260212-1440-B400_B.14-30 10 H1_Day d93111sd + + - + + + + Ref IL-SD-prevcat_mtbu Group Larrosa_I
29 15:12:11 20260212-1439-B400_B.14-34 10 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-171a Group Larrosa_I 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
29 15:07:52 20260212-1439-B400_B.14-33 10 H1_Day d93111sd + + - + + + + Ref IL-SD-171a Group Larrosa_I
28 15:00:07 20260212-1437-B400_B.14-28 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-135p Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
28 14:55:45 20260212-1437-B400_B.14-28 10 H1_Day d93111sd + + - + + + + Ref IL-SD-135p Group Larrosa_I
26 14:51:00 20260212-1428-B400_B.14-26 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
21 14:46:34 20260212-1425-B400_B.14-21 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-129 Group James_M
20 14:42:04 20260212-1405-B400_B.14-20 10 H1_Day f09303eg + + - + + + + Ref dte31 Group Webb_S
19 14:29:58 20260212-1401-B400_B.14-19 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 288 (crude) Group Procter_D
18 14:18:32 20260212-1401-B400_B.14-18 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 287 (crude) Group Procter_D
17 14:07:04 20260212-1400-B400_B.14-17 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 284 (crude) Group Procter_D
16 14:01:30 20260212-1236-B400_B.14-16 10 H1_Quant_NS1_Day w12998gm + + - + + + + Ref il-gm-10-008-c-crude Group Larrosa_I
15 13:49:17 20260212-1236-B400_B.14-15 10 H1_Quant_D1_25s_Day w12998gm + + - + + + + Ref il-gm-10-008-b-crude Group Larrosa_I
14 13:44:53 20260212-1236-B400_B.14-14 10 H1_Quant_NS1_Day w12998gm + + - + + + + Ref il-gm-10-008-a-crude Group Larrosa_I
58 13:40:13 20260212-1336-B400_B.14-58 10 H1_Day h91839em + + - + + + + Ref gc em 253 c Group Crisenza_G
43 13:35:22 20260212-1325-B400_B.14-43 10 H1_Day k48162ck + + - + + + + Ref naphthalene-diamine Group Romanov_A
40 13:31:19 20260212-1234-B400_B.14-40 10 H1_Day t99505xy + + - + + + + Ref BTAB_H Group Schroder_M
39 13:26:27 20260212-1221-B400_B.14-39 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref ED-03-007-x Group James_M
38 13:21:22 20260212-1217-B400_B.14-38 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-29- 24h Group Trowbridge_A
37 13:17:52 20260212-1208-B400_B.14-37 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016 25 mg new C6D6 Group James_M
36 13:14:27 20260212-1208-B400_B.14-36 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016 25 mg dry C6D6 Group James_M
30 13:09:55 20260212-1157-B400_B.14-30 10 H1_Day z88883sp + + - + + + + Ref SP407 Group Romanov_A Step 1 columned
29 12:58:00 20260212-1156-B400_B.14-29 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 286 (crude) Group Procter_D
28 12:53:28 20260212-1154-B400_B.14-28 10 H1_Day v19233ne + + - + + + + Ref MIG-NE-NE002.1_150_t0 Group Other
26 12:50:01 20260212-1152-B400_B.14-26 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC173B 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/20260212-1152-B400_B.14-26/10/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/20260212-1152-B400_B.14-26/10/pdata/1/peaks!
21 12:46:21 20260212-1151-B400_B.14-21 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC173A 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/20260212-1151-B400_B.14-21/10/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/20260212-1151-B400_B.14-21/10/pdata/1/peaks!
20 12:41:39 20260212-1149-B400_B.14-20 10 H1_Day z86427mk + + - + + + + Ref MK-293-B Group Procter_D
19 12:36:35 20260212-1148-B400_B.14-19 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F32-35 Group Procter_D
18 12:32:06 20260212-1145-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-751-(b) Group Greaney_M
17 12:28:25 20260212-1131-B400_B.14-17 10 H1_Quant_NS1_Day z86427mk + + - + + + + Ref MK-295-C Group Procter_D
16 12:23:36 20260212-1122-B400_B.14-16 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-029-P Group James_M
15 12:21:31 20260212-1052-B400_B.14-15 11 P31_Wide_Day r57145lg - + - - - + + Ref capg_LPG122 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 12:17:19 20260212-1052-B400_B.14-15 10 H1_Day r57145lg + + - + + + + Ref capg_LPG122 Group Goodwin_C
14 12:14:56 20260212-1051-B400_B.14-14 11 P31_Wide_Day r57145lg - + - - - + + Ref capg_LPG121 Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 12:10:30 20260212-1051-B400_B.14-14 10 H1_Day r57145lg + + - + + + + Ref capg_LPG121 Group Goodwin_C
8 12:08:41 20260212-1114-B400_B.14-8 12 F19_NoCPD_Day q50682hk - + - - - + + Ref SM Group Willcox_D 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 12:06:16 20260212-1114-B400_B.14-8 11 F19_CPD_Day q50682hk - + - - - + + Ref SM Group Willcox_D 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 12:02:32 20260212-1114-B400_B.14-8 10 H1_ExtraWide_Day q50682hk + + - + + + + Ref SM Group Willcox_D
3 11:56:14 20260212-1113-B400_B.14-3 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-011-2 Group DeBo_G
2 11:51:43 20260212-1029-B400_B.14-2 10 H1_Day w61916tz + + - + + + + Ref STL-XLD-I-5thcycle-drops of THF Group Schroder_M
1 11:47:28 20260212-1019-B400_B.14-1 10 H1_Day g36620hh + + - + + + + Ref HH25.1 Group Mills_D
59 11:42:38 20260212-1105-B400_B.14-59 10 H1_Day y03998so + + - + + + + Ref DJP SO93 Group Procter_D
58 11:40:30 20260212-1049-B400_B.14-58 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-921-001-rm Group James_M 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
58 11:35:47 20260212-1049-B400_B.14-58 10 H1_Day c46714th + + - + + + + Ref TH-921-001-rm Group James_M
57 11:31:03 20260211-1538-B400_B.14-57 11 H1_Quant_NS1_Day z86427mk + + - + + + + Ref MK-295-B Group Procter_D
54 11:25:58 20260211-1141-B400_B.14-54 13 H1_Quant_NS1_Day z86427mk + + - + + + + Ref MK-295-A Group Procter_D
43 11:19:46 20260212-1049-B400_B.14-43 11 F19_NoCPD_Day c46714th - + - - - + + Ref TH-920-001-rm Group James_M 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
43 11:15:13 20260212-1049-B400_B.14-43 10 H1_Day c46714th + + - + + + + Ref TH-920-001-rm Group James_M
40 11:10:51 20260212-1017-B400_B.14-40 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad3-6 Group Procter_D
39 11:06:03 20260212-1017-B400_B.14-39 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad3-5 Group Procter_D
38 11:00:52 20260212-1017-B400_B.14-38 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad3-4 Group Procter_D
37 10:57:39 20260212-1046-B400_B.14-37 11 P31_CPD_Day q17816aj - + - - - + + Ref IR-AJ-033d Group Riddell_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
37 10:52:53 20260212-1046-B400_B.14-37 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-033d Group Riddell_I
36 10:51:06 20260212-1032-B400_B.14-36 12 F19_NoCPD_Day q50682hk - + - - - + + Ref DFB A Group Willcox_D 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 10:48:41 20260212-1032-B400_B.14-36 11 F19_CPD_Day q50682hk - + - - - + + Ref DFB A Group Willcox_D 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 10:44:34 20260212-1032-B400_B.14-36 10 H1_ExtraWide_Day q50682hk + + - + + + + Ref DFB A Group Willcox_D
30 10:39:46 20260212-1025-B400_B.14-30 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1009-a Group Procter_D
29 10:35:32 20260212-1017-B400_B.14-28 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad3-3 Group Procter_D
28 10:30:49 20260212-1017-B400_B.14-27 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad2-4 Group Procter_D
26 10:26:19 20260212-1017-B400_B.14-26 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad2-3 Group Procter_D
21 10:14:33 20260211-1638-B400_B.14-21 11 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-124 DMSO Group James_M
21 10:10:16 20260211-1638-B400_B.14-21 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-124 DMSO Group James_M
16 10:04:08 20260212-1002-B400_B.14-16 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1012-is-b Group Procter_D
15 09:59:52 20260212-0958-B400_B.14-15 10 H1_Day k48162ck + + - + + + + Ref pincer Group Romanov_A
14 09:56:58 20260212-0940-B400_B.14-14 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-15 p1 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
14 09:51:58 20260212-0940-B400_B.14-14 10 H1_Day c62220rg + + - + + + + Ref nk 1-15 p1 Group Trowbridge_A
3 09:35:30 20260211-1215-B400_B.14-3 11 C13_CPD_Night256 w61916tz + + - + + + + Ref STL-XLD-4thcycle-ampoule-300mg Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 09:31:03 20260212-0924-B400_B.14-8 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1013-is Group Procter_D
2 09:26:34 20260212-0907-B400_B.14-2 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1012-is Group Procter_D
1 09:21:44 20260212-0907-B400_B.14-1 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1011-is Group Procter_D
59 09:04:52 20260210-1658-B400_B.14-59 11 C13_CPD_Night256 r62071ja + + - + + + + Ref JS.07 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 08:47:57 20260209-2003-B400_B.14-42 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-004-04-w Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 08:42:28 20260212-0834-B400_B.14-39 10 H1_Day e72206ov + + - + + + + Ref ov-015.3-b boc crude oil Group DeBo_G
38 08:36:58 20260212-0833-B400_B.14-38 10 H1_Day e72206ov + + - + + + + Ref ov-002-c coelute, white bit Group DeBo_G
37 08:31:54 20260212-0750-B400_B.14-37 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-mesitylene Group Larrosa_I 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
37 08:27:08 20260212-0750-B400_B.14-37 11 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-mesitylene Group Larrosa_I
36 08:12:18 20260211-2035-B400_B.14-36 11 C13_CPD_Night256 n29715ss - + - - - + + Ref DJP-SS-3,5DiFisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 08:07:47 20260211-2035-B400_B.14-36 10 H1_Night n29715ss + + - + + + + Ref DJP-SS-3,5DiFisolated Group Procter_D
39 08:03:16 20260212-0751-B400_B.14-39 10 H1_Day x06125gb + + - + + + + Ref GCGB393Li Group Crisenza_G
38 07:58:46 20260212-0751-B400_B.14-38 10 H1_Day x06125gb + + - + + + + Ref GCGB405F11-46 Group Crisenza_G
37 07:54:31 20260212-0750-B400_B.14-37 10 H1_Day x06125gb + + - + + + + Ref GCGB405F5-9 Group Crisenza_G
36 07:49:46 20260211-2035-B400_B.14-36 12 F19_CPD_Day n29715ss + + - + + + + Ref DJP-SS-3,5DiFisolated Group Procter_D 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 07:45:29 20260211-2034-B400_B.14-34 12 F19_CPD_Day n29715ss + + - + + + + Ref DJP-SS-4CF3isolated Group Procter_D 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 07:36:24 20260211-2032-B400_B.14-33 12 F19_CPD_Day n29715ss + + - + x + + Ref DJP-SS-2Fisolated Group Procter_D topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed, 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
43 07:11:48 20260211-1035-B400_B.14-43 11 H1_Quant_d1_56s_Night r60833in + + - + + + + Ref IN-SC-01 Group Cobb_S
42 06:50:25 20260209-2003-B400_B.14-42 14 H1_C13_HMBC_US_Night g23544jd + + - + + + + Ref ED-03-004-04-w Group James_M
41 06:33:37 20260209-2002-B400_B.14-41 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-004-04-y Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39 05:48:12 20260209-1958-B400_B.14-39 16 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-004-03 Group James_M
39 05:35:53 20260209-1958-B400_B.14-39 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-004-03 Group James_M
39 05:17:29 20260209-1958-B400_B.14-39 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-004-03 Group James_M
39 05:15:18 20260209-1958-B400_B.14-39 13 H1_Night g23544jd - + - - - + + Ref ED-03-004-03 Group James_M
39 03:56:42 20260209-1958-B400_B.14-39 12 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-004-03 Group James_M
39 03:40:00 20260209-1958-B400_B.14-39 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-004-03 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 02:54:36 20260209-1957-B400_B.14-38 16 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-004-02 Group James_M
38 02:42:17 20260209-1957-B400_B.14-38 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-004-02 Group James_M
38 02:40:05 20260209-1957-B400_B.14-38 13 H1_Night g23544jd - + - - - + + Ref ED-03-004-02 Group James_M
38 01:21:29 20260209-1957-B400_B.14-38 12 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-004-02 Group James_M
38 01:04:42 20260209-1957-B400_B.14-38 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-004-02 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 01:00:00 20260211-1742-B400_B.14-27 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
58 00:46:48 20260211-2112-B400_B.14-58 10 H1_Day v73981ac + + - + + + + Ref ILAC-electrophileiPr Group Larrosa_I
30 00:30:51 20260210-1645-B400_B.14-30 11 C13_DEPTQ_Night g36620hh - + - - - + + Ref HH23.4 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 00:25:42 20260210-1645-B400_B.14-30 10 H1_Night g36620hh + + - + + + + Ref HH23.4 Group Mills_D
8 00:02:04 20260210-1535-B400_B.14-8 15 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-125 Group James_M
8 23:43:40 20260210-1535-B400_B.14-8 14 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-125 Group James_M
8 23:31:47 20260210-1535-B400_B.14-8 13 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-125 Group James_M
8 23:23:19 20260210-1535-B400_B.14-8 12 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ EL-04-125 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 23:05:51 20260210-1535-B400_B.14-8 11 C13_CPD_Night256 a15978el + + - + + + + Ref MJJ EL-04-125 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 23:00:54 20260211-1742-B400_B.14-27 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
20 22:44:11 20260210-1448-B400_B.14-20 11 C13_CPD_Night256 c54994yc + + - + + + + Ref TCPP Group Sihai_Y sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 22:25:47 20260210-1344-B400_B.14-28 15 H1_C13_HMBC_US_Night z40973rs - + - - - + + Ref gdb-rs-182 retry crystal Group DeBo_G
28 22:13:28 20260210-1344-B400_B.14-28 14 H1_C13_HSQC_US_Night z40973rs - + - - - + + Ref gdb-rs-182 retry crystal Group DeBo_G
28 22:11:16 20260210-1344-B400_B.14-28 13 H1_Night z40973rs - + - - - + + Ref gdb-rs-182 retry crystal Group DeBo_G
28 21:54:31 20260210-1344-B400_B.14-28 12 C13_CPD_Night256 z40973rs + + - + + + + Ref gdb-rs-182 retry crystal Group DeBo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 21:50:00 20260211-1742-B400_B.14-27 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
40 21:42:14 20260211-2054-B400_B.14-40 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-305p Group Procter_D
37 20:54:40 20260209-1954-B400_B.14-37 16 H1_NOESY_US_Night g23544jd + + - + + + + Ref ED-03-004-01 Group James_M
27 20:50:00 20260211-1742-B400_B.14-27 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
19 20:24:26 20260210-1446-B400_B.14-19 11 C13_CPD_Night256 c54994yc + + - + + + + Ref TCPP Group Sihai_Y sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 20:20:00 20260211-1742-B400_B.14-27 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
35 19:54:30 20260210-1407-B400_B.14-35 11 C13_CPD_Night256 b59259yj - - - - - - - Ref MLT_LSM-18f 30 h Group Turner_M
27 19:50:01 20260211-1742-B400_B.14-27 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
14 19:24:03 20260210-1316-B400_B.14-14 11 C13_CPD_Night256 e66390fk + + - + + + + Ref fk005 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 19:20:00 20260211-1742-B400_B.14-27 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
27 19:02:23 20260211-1742-B400_B.14-27 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
33 18:44:48 20260210-1708-B400_B.14-33 11 C13_CPD_Night256 f25045cc + + - + + + + Ref cjc-dw-10-dried_glovebox Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 18:40:00 20260211-1742-B400_B.14-27 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
2 18:25:49 20260211-1739-B400_B.14-2 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 281 (crude) Group Procter_D
27 18:21:18 20260211-1742-B400_B.14-27 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
1 18:09:32 20260211-1739-B400_B.14-1 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 280 (crude) Group Procter_D
34 18:04:45 20260211-1803-B400_B.14-34 10 H1_Day m52750pm + + - + + + + Ref GC_MP017+i.s. Group Crisenza_G
27 18:00:00 20260211-1742-B400_B.14-27 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
27 17:47:39 20260211-1742-B400_B.14-27 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-18 Group Leigh_D fuelled at 17:40 11/02/2026
29 17:41:23 20260211-1704-B400_B.14-29 11 H1_COSY_Day g51050xx - + - - - + + Ref xxt-25-h Group Gardiner_J
29 17:36:47 20260211-1704-B400_B.14-29 10 H1_Day g51050xx + + - + + + + Ref xxt-25-h Group Gardiner_J
27 17:32:20 20260211-1642-B400_B.14-27 10 H1_Day k48162ck + + - + + + + Ref naphathlene-diamine Group Romanov_A
26 17:26:04 20260211-1702-B400_B.14-26 11 H1_COSY_Day g51050xx - + - - - + + Ref xxt-25-q Group Gardiner_J
26 17:21:22 20260211-1702-B400_B.14-26 10 H1_Day g51050xx + + - + + + + Ref xxt-25-q Group Gardiner_J
18 17:16:48 20260211-1643-B400_B.14-18 10 H1_Day v73981ac + + - + + + + Ref ILAC-MichaelElectrophile Group Larrosa_I
17 17:12:03 20260211-1636-B400_B.14-17 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref EL-04-135-c Group James_M 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 17:07:26 20260211-1636-B400_B.14-17 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref EL-04-135-c Group James_M
16 17:02:37 20260211-1636-B400_B.14-16 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-134-c Group James_M 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 16:58:13 20260211-1636-B400_B.14-16 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-134-c Group James_M
15 16:51:40 20260211-1635-B400_B.14-15 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-133-c Group James_M 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 16:47:11 20260211-1635-B400_B.14-15 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-133-c Group James_M
10 16:42:05 20260211-1640-B400_B.14-10 10 H1_Day y03998so + + - + + + + Ref DJP SO91 Group Procter_D
8 16:36:52 20260210-1535-B400_B.14-8 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-125 Group James_M
7 16:32:51 20260211-1632-B400_B.14-7 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-707cr Group Trowbridge_A
6 16:28:45 20260211-1622-B400_B.14-6 10 H1_Day f09303eg + + - + + + + Ref Ser-OMe Group Webb_S
10 16:24:11 20260211-1607-B400_B.14-10 10 H1_Day e72206ov + + - + + + + Ref ov-002-c coelution, orange oil/crystal Group DeBo_G
9 16:19:09 20260211-1606-B400_B.14-9 10 H1_Day e72206ov + + - + + + + Ref ov-002-c coelution, white powder Group DeBo_G
2 16:14:50 20260211-1512-B400_B.14-2 10 H1_Day e66390fk + + - + + + + Ref fk005111 Group Gardiner_J
1 16:10:10 20260211-1511-B400_B.14-1 10 H1_Day e66390fk + + - + + + + Ref fk00511 Group Gardiner_J
58 16:06:30 20260211-1548-B400_B.14-58 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016-D Pip 25 mg dry C6D6 Group James_M
57 16:04:16 20260211-1538-B400_B.14-57 10 H1_Day k48162ck - - - - - - - Ref naphthalene-diamine Group Romanov_A
40 15:59:10 20260211-1521-B400_B.14-40 10 H1_Day m52750pm + + - + + + + Ref GCPM261cr Group Crisenza_G
36 15:56:21 20260211-1513-B400_B.14-36 11 F19_CPD_Day c46714th - + - - - + + Ref TH-918-004-post wash in DMSO Group James_M 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 15:52:01 20260211-1513-B400_B.14-36 10 H1_Day c46714th + + - + + + + Ref TH-918-004-post wash in DMSO Group James_M
34 15:47:16 20260211-1513-B400_B.14-34 10 H1_Day c46714th + + - + + + + Ref TH-918-000-sm nuc Group James_M
32 15:43:13 20260211-1508-B400_B.14-32 10 H1_Day f56027ch + + - + + + + Ref Br py DCM washed liquid Group Schroder_M
31 15:38:44 20260211-1508-B400_B.14-31 10 H1_Day f56027ch + + - + + + + Ref Br py DCM washed solid Group Schroder_M
29 15:35:51 20260211-1500-B400_B.14-29 11 F19_CPD_Day k48162ck - + - - - + + Ref 19F-N^C^C-Au-OAcF Group Romanov_A 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 15:31:11 20260211-1500-B400_B.14-29 10 H1_Day k48162ck + + - + + + + Ref N^C^C-Au-OAcF Group Romanov_A
27 15:28:47 20260211-1459-B400_B.14-27 10 H1_Day k48162ck - - - - - - - Ref naphthalene-diamine Group Romanov_A
26 15:25:38 20260211-1457-B400_B.14-26 11 F19_CPD_Day k48162ck - + - - - + + Ref 19F-Ph-pincer-Au-OAcF-CF3COOH Group Romanov_A 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
26 15:20:19 20260211-1457-B400_B.14-26 10 H1_Day k48162ck + + - + + + + Ref 1H-Ph-pincer-Au-OAcF-CF3COOH Group Romanov_A
22 15:16:02 20260211-1333-B400_B.14-22 10 H1_Day t91715jk + + - + + + + Ref JK127 DP10 xanthate terminated in chloro Group Gibson_M JK127 DP10 xanthate terminated in chloro
21 15:11:28 20260211-1333-B400_B.14-21 10 H1_Day t91715jk + + - + + + + Ref JK127 DP25 xanthate terminated in chloro Group Gibson_M JK127 DP25 xanthate terminated in chloro
18 15:06:57 20260211-1333-B400_B.14-18 10 H1_Day t91715jk + + - + + + + Ref JK127 DP50 xanthate terminated in chloro Group Gibson_M JK127 DP50 xanthate terminated in chloro
17 15:02:13 20260211-1331-B400_B.14-17 10 H1_Day a74776dr + + - + + + + Ref DJP-DR-1-476-Product Group Procter_D
16 14:57:45 20260211-1330-B400_B.14-16 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-11 R2 Group Riddell_I
15 14:52:57 20260211-1315-B400_B.14-15 10 H1_Day y83620jc + + - + + + + Ref ja-jc-d3 Group Other
13 14:48:40 20260211-1314-B400_B.14-13 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F35 Group Procter_D
12 14:43:59 20260211-1313-B400_B.14-12 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F17 Group Procter_D
11 14:39:28 20260211-1244-B400_B.14-11 10 H1_Day p69237rb + + - + + + + Ref GC RBP20B F2 Group Crisenza_G
10 14:35:11 20260211-1243-B400_B.14-10 10 H1_Day p69237rb + + - + + + + Ref GC RBP20B F1 Group Crisenza_G
9 14:30:18 20260211-1242-B400_B.14-9 10 H1_Day p69237rb + + - + + + + Ref gc rbp16A3 Group Crisenza_G
7 14:25:04 20260211-1306-B400_B.14-7 10 H1_Day f56027ch + + - + + + + Ref Br Py in D2O Group Schroder_M
6 14:20:32 20260211-1234-B400_B.14-6 10 H1_Day j40457bh + + - + + + + Ref bh ah 272 c2 fr48+ Group Trowbridge_A
5 14:15:35 20260211-1233-B400_B.14-5 10 H1_Day j53590ed + + - + + + + Ref ED1-046B_prepTLC_2_hivac Group Greaney_M
4 14:10:31 20260211-1219-B400_B.14-4 10 H1_Day h91839em + + - + + + + Ref gc em 257 c Group Crisenza_G
3 14:06:05 20260211-1215-B400_B.14-3 10 H1_Day w61916tz + + - + + + + Ref STL-XLD-4thcycle-ampoule-300mg Group Schroder_M
2 14:01:28 20260211-1209-B400_B.14-2 10 H1_Day y01348dm + + - + + + + Ref 06_cdcl3 Group Keerthi_A
1 13:56:50 20260211-1209-B400_B.14-1 10 H1_Day y01348dm + + - + + + + Ref 06_acetone Group Keerthi_A
58 13:54:45 20260211-1205-B400_B.14-58 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-29-pb 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
58 13:49:41 20260211-1205-B400_B.14-58 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-29-pb Group Trowbridge_A
57 13:46:50 20260211-1205-B400_B.14-57 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-28-pa 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
57 13:42:22 20260211-1205-B400_B.14-57 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-28-pa Group Trowbridge_A
56 13:37:25 20260211-1205-B400_B.14-56 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-29-1h Group Trowbridge_A
55 13:32:58 20260211-1134-B400_B.14-55 10 H1_Day v19233ne + + - + + + + Ref MIG-NE-NE002.1_200_t22 Group Other
54 12:43:04 20260211-1141-B400_B.14-54 12 Si29_DEPT90_Day m69065je - x - - - - - Ref JEK583_test Group Mills_D ATM Failed
54 12:41:53 20260211-1141-B400_B.14-54 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK583_test Group Mills_D
54 12:37:31 20260211-1141-B400_B.14-54 10 H1_Day m69065je + + - + + + + Ref JEK583_test Group Mills_D
53 12:33:12 20260211-1124-B400_B.14-53 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-029-E Group James_M
52 12:27:58 20260211-1122-B400_B.14-52 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-028-E Group James_M
51 12:23:14 20260211-1112-B400_B.14-51 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1008-C-is Group Procter_D
50 12:17:52 20260211-1111-B400_B.14-50 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1008-B-is Group Procter_D
49 12:07:59 20260211-1100-B400_B.14-49 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC9 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/20260211-1100-B400_B.14-49/11/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/20260211-1100-B400_B.14-49/11/pdata/1/peaks!
49 12:04:34 20260211-1100-B400_B.14-49 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC9 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/20260211-1100-B400_B.14-49/10/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/20260211-1100-B400_B.14-49/10/pdata/1/peaks!
48 11:54:42 20260211-1100-B400_B.14-48 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC8 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/20260211-1100-B400_B.14-48/11/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/20260211-1100-B400_B.14-48/11/pdata/1/peaks!
48 11:51:03 20260211-1100-B400_B.14-48 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC8 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/20260211-1100-B400_B.14-48/10/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/20260211-1100-B400_B.14-48/10/pdata/1/peaks!
47 11:48:45 20260210-1644-B400_B.14-47 11 F19_CPD_Day j53590ed - + - - - + + Ref ED1-046B_prepTLC_3 Group Greaney_M 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
47 11:44:28 20260210-1644-B400_B.14-47 10 H1_Day j53590ed + + - + + + + Ref ED1-046B_prepTLC_3 Group Greaney_M
46 11:42:14 20260210-1644-B400_B.14-46 11 F19_CPD_Day j53590ed - + - - - + + Ref ED1-046B_prepTLC_2 Group Greaney_M 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
46 11:37:40 20260210-1644-B400_B.14-46 10 H1_Day j53590ed + + - + + + + Ref ED1-046B_prepTLC_2 Group Greaney_M
45 11:26:00 20260211-1041-B400_B.14-45 10 H1_Quant_D1_25s_Day a15978el + + - + + + + Ref MJJ EL-04-138-c Group James_M
44 11:21:45 20260211-1038-B400_B.14-44 10 H1_Day w12998gm + + - + + + + Ref il-gm-10-007-crude Group Larrosa_I
43 11:17:38 20260211-1035-B400_B.14-43 10 H1_Day v19233ne + + - + + + + Ref MIG-NE-NE002.1_200_t0 Group Other
40 11:15:22 20260210-1643-B400_B.14-40 11 F19_CPD_Day j53590ed - + - - - + + Ref ED1-046B_prepTLC_1 Group Greaney_M 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 11:10:06 20260210-1643-B400_B.14-40 10 H1_Day j53590ed + + - + + + + Ref ED1-046B_prepTLC_1 Group Greaney_M
36 11:05:18 20260211-1014-B400_B.14-36 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-749 Group Greaney_M
34 11:01:08 20260211-1004-B400_B.14-33 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138az Group Procter_D
33 10:56:59 20260210-1708-B400_B.14-33 10 H1_Day f25045cc + + - + + + + Ref cjc-dw-10-dried_glovebox Group Willcox_D
32 10:52:07 20260211-1004-B400_B.14-32 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138at Group Procter_D
31 10:47:11 20260211-1004-B400_B.14-31 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ar-5 eq Group Procter_D
29 10:43:05 20260210-2035-B400_B.14-29 10 H1_Day f56027ch + + - + + + + Ref deprotector ligand purified Group Schroder_M
27 10:38:24 20260210-2027-B400_B.14-27 10 H1_Day q62112nk + + - + + + + Ref dj-nk-303 Group Procter_D
26 10:34:11 20260210-2026-B400_B.14-26 10 H1_Day q62112nk + + - + + + + Ref djp-nk-302 Group Procter_D
25 10:29:41 20260211-1003-B400_B.14-25 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ar Group Procter_D
24 10:25:14 20260211-1003-B400_B.14-24 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138z Group Procter_D
23 10:19:53 20260211-1003-B400_B.14-23 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138y Group Procter_D
22 10:15:36 20260211-0937-B400_B.14-22 10 H1_Day z40241jm + + - + + + + Ref DJP-JIM-8-ketoneimpure Group Procter_D
21 10:10:34 20260211-0936-B400_B.14-21 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL_SD-96-xy Group Larrosa_I 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 10:05:42 20260211-0936-B400_B.14-21 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL_SD-96-xy Group Larrosa_I
18 09:59:28 20260211-0921-B400_B.14-18 11 H1_COSY_Day a15978el - + - - - + + Ref MJJ EL-04-124 Group James_M
18 09:54:30 20260211-0921-B400_B.14-18 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-124 Group James_M
17 09:49:59 20260211-0918-B400_B.14-17 10 H1_Day z86427mk + + - + + + + Ref MK-293-B F24-25 Group Procter_D
16 09:45:03 20260211-0918-B400_B.14-16 10 H1_Day z86427mk + + - + + + + Ref MK-293-B F23 Group Procter_D
15 09:40:33 20260211-0917-B400_B.14-15 10 H1_Day x73847lm + + - + + + + Ref IR-LJM_02-15 HW1 Group Riddell_I
13 09:35:57 20260211-0918-B400_B.14-13 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F31 Group Procter_D
12 09:33:48 20260211-0916-B400_B.14-12 11 H1_B11CPD_Day m69065je - + - - - + + Ref JEK487_again Group Mills_D JEK487_again sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 09:29:40 20260211-0916-B400_B.14-12 10 H1_Day m69065je + + - + + + + Ref JEK487_again Group Mills_D JEK487_again
11 09:24:49 20260211-0900-B400_B.14-11 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1007-is Group Procter_D
10 09:20:03 20260211-0857-B400_B.14-10 10 H1_Day x06125gb + + - + + + + Ref GCGB400Pr2 Group Crisenza_G
9 09:15:45 20260210-2135-B400_B.14-9 10 H1_Day f56027ch + + - + + + + Ref 260210-ligang-oet-product Group Schroder_M
7 09:10:46 20260210-1713-B400_B.14-7 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aq Group Procter_D
6 09:06:37 20260211-0854-B400_B.14-6 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-019-B Group DeBo_G
5 09:02:28 20260211-0854-B400_B.14-5 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-019-A Group DeBo_G
4 08:58:01 20260210-1710-B400_B.14-4 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ah Group Procter_D
3 08:53:14 20260210-1710-B400_B.14-3 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad Group Procter_D
2 08:48:36 20260210-1710-B400_B.14-2 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138u Group Procter_D
1 08:43:52 20260211-0841-B400_B.14-1 10 H1_Day c46714th + + - + + + + Ref TH-918-002-P1 Group James_M
60 08:39:07 20260210-1659-B400_B.14-60 10 H1_Day r62071ja + + - + + + + Ref JS.13-28 Group Gardiner_J
59 08:34:38 20260210-1658-B400_B.14-59 10 H1_Day r62071ja + + - + + + + Ref JS.07 Group Gardiner_J
58 08:28:24 20260210-1732-B400_B.14-58 11 H1_COSY_Day g51050xx - + - - - + + Ref xxt-23-uk Group Gardiner_J
58 08:23:45 20260210-1732-B400_B.14-58 10 H1_Day g51050xx + + - + + + + Ref xxt-23-uk Group Gardiner_J
57 08:19:14 20260210-1706-B400_B.14-57 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138q Group Procter_D
56 08:14:50 20260210-1706-B400_B.14-56 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138g Group Procter_D
55 08:09:12 20260210-1706-B400_B.14-55 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138d Group Procter_D
54 08:03:55 20260210-1700-B400_B.14-54 10 H1_Day j40457bh + + - + + + + Ref bh ah 274 c1 fr22-24 Group Trowbridge_A
51 08:02:06 20260210-1625-B400_B.14-51 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-125 f5 Group James_M 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 07:57:22 20260210-1625-B400_B.14-51 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-125 f5 Group James_M
50 07:55:28 20260210-1624-B400_B.14-50 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-126 Group James_M 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 07:50:46 20260210-1624-B400_B.14-50 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-126 Group James_M
49 07:48:43 20260210-1624-B400_B.14-49 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-130 Group James_M 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
49 07:44:10 20260210-1624-B400_B.14-49 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-130 Group James_M
45 07:35:59 20260210-1616-B400_B.14-45 11 F19_CPD_Day q25190ha - + - - - + + Ref REPW HA019 crystal Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
45 07:30:59 20260210-1616-B400_B.14-45 10 H1_Day q25190ha + + - + + + + Ref REPW HA019 crystal Group Winpenny_R
38 07:10:31 20260209-1957-B400_B.14-38 14 H1_C13_HMBC_US_Night g23544jd + + - + + + + Ref ED-03-004-02 Group James_M
37 06:58:12 20260209-1954-B400_B.14-37 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-004-01 Group James_M
37 06:39:48 20260209-1954-B400_B.14-37 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-004-01 Group James_M
37 06:37:36 20260209-1954-B400_B.14-37 13 H1_Night g23544jd - + - - - + + Ref ED-03-004-01 Group James_M
37 05:18:58 20260209-1954-B400_B.14-37 12 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-004-01 Group James_M
37 05:02:13 20260209-1954-B400_B.14-37 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-004-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 04:43:49 20260209-1040-B400_B.14-34 15 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-003-03 Group James_M
34 04:31:30 20260209-1040-B400_B.14-34 14 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-003-03 Group James_M
34 04:29:18 20260209-1040-B400_B.14-34 13 H1_Night g23544jd - + - - - + + Ref ED-03-003-03 Group James_M
34 03:08:16 20260209-1040-B400_B.14-34 12 H1_COSY_NS32_Night g23544jd + + - + + + + Ref ED-03-003-03 Group James_M
17 02:49:52 20260210-0948-B400_B.14-17 14 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-917-002-P1 Group James_M
17 02:37:33 20260210-0948-B400_B.14-17 13 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-917-002-P1 Group James_M
17 02:25:40 20260210-0948-B400_B.14-17 12 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-917-002-P1 Group James_M
17 02:11:14 20260210-0948-B400_B.14-17 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-917-002-P1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 02:05:29 20260210-0948-B400_B.14-17 10 H1_Night c46714th + + - + + + + Ref TH-917-002-P1 Group James_M
11 02:00:01 20260210-1749-B400_B.14-11 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
53 01:54:20 20260210-1626-B400_B.14-53 10 H1_Day e02956op + + - + + + + Ref GDB-OP0434_baseresidue-1H_MeCNd3 Group DeBo_G
16 01:35:56 20260210-0948-B400_B.14-16 14 H1_C13_HMBC_US_Night c46714th - + - - - + + Ref TH-915-p1on Group James_M
16 01:23:36 20260210-0948-B400_B.14-16 13 H1_C13_HSQC_US_Night c46714th - + - - - + + Ref TH-915-p1on Group James_M
16 01:11:43 20260210-0948-B400_B.14-16 12 H1_COSY_HiRes_Night c46714th - + - - - + + Ref TH-915-p1on Group James_M
16 00:56:49 20260210-0948-B400_B.14-16 11 C13_CPD_Night256 c46714th - + - - - + + Ref TH-915-p1on Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 00:51:25 20260210-0948-B400_B.14-16 10 H1_Night c46714th + + - + + + + Ref TH-915-p1on Group James_M
48 00:04:42 20260209-2033-B400_B.14-48 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e759 psp Group DeBo_G 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
11 00:00:00 20260210-1749-B400_B.14-11 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
44 23:53:31 20260210-1615-B400_B.14-44 11 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA016 crystal Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21 23:35:08 20260210-1131-B400_B.14-21 15 H1_C13_HMBC_US_Night z40973rs - + - - - + + Ref gdb-tlt-02 Group DeBo_G
21 23:23:22 20260210-1131-B400_B.14-21 14 H1_COSY_HiRes_Night z40973rs - + - - - + + Ref gdb-tlt-02 Group DeBo_G
21 23:10:35 20260210-1131-B400_B.14-21 13 H1_C13_HSQC_US_Night z40973rs - + - - - + + Ref gdb-tlt-02 Group DeBo_G
21 23:05:52 20260210-1131-B400_B.14-21 12 H1_Night z40973rs + + - + + + + Ref gdb-tlt-02 Group DeBo_G
11 23:01:19 20260210-1749-B400_B.14-11 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
15 22:44:15 20260210-0036-B400_B.14-15 12 H1_COSY_HiRes_Night a74776dr + + - + + + + Ref sph Group Procter_D
43 22:42:05 20260209-2033-B400_B.14-43 11 F19_CPD_Day j83970qc - + - - - + + Ref qc e758 psp Group DeBo_G 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
43 21:54:40 20260209-2033-B400_B.14-43 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e758 psp Group DeBo_G 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
11 21:50:01 20260210-1749-B400_B.14-11 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
6 21:28:54 20260209-2139-B400_B.14-6 11 C13_CPD_Night256 f56027ch + + - + + + + Ref BenKun-1,3,4-N_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 21:11:49 20260209-2139-B400_B.14-5 11 C13_CPD_Night256 f56027ch + + - + + + + Ref BTAB_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 20:54:50 20260209-1754-B400_B.14-31 10 C13_CPD_Night256 m52750pm + + - + + + + Ref GCPM245F1-C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 20:50:00 20260210-1749-B400_B.14-11 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
44 20:43:33 20260210-1615-B400_B.14-44 10 H1_Day q25190ha + + - + + + + Ref REPW HA016 crystal Group Winpenny_R
25 20:24:45 20260209-1710-B400_B.14-25 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1002-ch Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 20:20:04 20260210-1749-B400_B.14-11 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
36 20:14:29 20260210-1641-B400_B.14-36 10 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA009 with Py 1 to 1 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23 19:57:11 20260209-1705-B400_B.14-23 11 C13_CPD_Night256 h68355ac + + - + + + + Ref djp-oc-1003-ac Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 19:52:41 20260210-1749-B400_B.14-11 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
13 19:26:07 20260209-1643-B400_B.14-13 17 H1_C13_HSQCed_Night a15978el + + - + + + + Ref MJJ-AS-01-024-P Group James_M
11 19:20:42 20260210-1749-B400_B.14-11 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
52 19:15:21 20260210-1626-B400_B.14-52 10 H1_Day e02956op + + - + + + + Ref GDB-OP0434_Acidlayer-1H_CDCl3 Group DeBo_G
22 18:57:33 20260209-1704-B400_B.14-22 16 C13_CPD_Night256 n29715ss + + - + + + + Ref DJP-SS-4CF3isoilated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 18:52:23 20260210-1749-B400_B.14-11 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
27 18:40:20 20260210-1814-B400_B.14-27 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 279 (crude) Group Procter_D
11 18:35:42 20260210-1749-B400_B.14-11 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
26 18:19:29 20260210-1814-B400_B.14-26 10 H1_Quant_D1_25s_Day z16689fe + + - + x + + Ref DJP FE 277 (crude) Group Procter_D topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
11 18:14:10 20260210-1749-B400_B.14-11 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
32 18:09:23 20260210-1703-B400_B.14-32 10 H1_Day v73981ac + + - + + + + Ref ILAC-MichaelE+ Group Larrosa_I
29 18:04:27 20260210-1629-B400_B.14-29 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-737-(c) Group Greaney_M
27 18:00:16 20260210-1545-B400_B.14-27 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-023-F40-56 Group James_M 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 17:55:11 20260210-1629-B400_B.14-26 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-747-(b) Group Greaney_M
11 17:50:26 20260210-1749-B400_B.14-11 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-17 Group Leigh_D fuelled at 17:47 10/02/2026
24 17:46:34 20260210-1543-B400_B.14-24 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-023-F58-70 Group James_M 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 17:41:48 20260210-1448-B400_B.14-20 10 H1_Day c54994yc + + - + + + + Ref TCPP Group Sihai_Y
19 17:37:18 20260210-1446-B400_B.14-19 10 H1_Day c54994yc + + - + + + + Ref TCPP Group Sihai_Y
18 17:32:59 20260210-1551-B400_B.14-18 10 H1_Day k48162ck + + - + + + + Ref N^C^C-Au-OCF Group Romanov_A
12 17:28:29 20260210-1550-B400_B.14-12 10 H1_Day k48162ck + + - + + + + Ref pyNHC-CuCl-last point Group Romanov_A
11 17:24:22 20260210-1539-B400_B.14-11 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-023-F72-90 Group James_M 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 17:20:19 20260210-1538-B400_B.14-10 10 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ-AS-01-023-RM Group James_M 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
9 17:17:59 20260210-1549-B400_B.14-9 11 F19_CPD_Day k48162ck - + - - - + + Ref 19F-Ph-pincer-Au-(OAcF) Group Romanov_A 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
9 17:13:04 20260210-1549-B400_B.14-9 10 H1_Day k48162ck + + - + + + + Ref 1H-Ph-pincer-Au-(OAcF) Group Romanov_A
7 17:07:56 20260210-1535-B400_B.14-7 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-124 dilute Group James_M
4 17:03:20 20260210-1525-B400_B.14-4 10 H1_Day k03582jd + + - + + + + Ref JDR31 Group Procter_D
3 16:58:19 20260210-1517-B400_B.14-3 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-737-(f) Group Greaney_M
2 16:53:29 20260210-1236-B400_B.14-2 11 H1_Day h68355ac + + - + + + + Ref MFG-AC-747-(a) Group Greaney_M
1 16:48:36 20260210-1455-B400_B.14-1 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-aluminafilt Group Larrosa_I 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 16:43:27 20260210-1455-B400_B.14-1 10 H1_Day d93111sd + + - + + + + Ref IL-SD-96-aluminafilt Group Larrosa_I
60 16:39:02 20260210-1517-B400_B.14-60 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-737-(e) Group Greaney_M
59 16:34:12 20260210-1517-B400_B.14-59 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-737-(d) Group Greaney_M
58 16:31:34 20260210-1513-B400_B.14-58 11 P31_CPD_Day q17816aj - + - - - + + Ref IR-AJ-033c Group Riddell_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/q17816aj/nmr/20260210-1513-B400_B.14-58/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/q17816aj/nmr/20260210-1513-B400_B.14-58/11/pdata/1/peaks!
58 16:27:07 20260210-1513-B400_B.14-58 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-033c Group Riddell_I
57 16:22:21 20260210-1454-B400_B.14-57 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-silicafilt Group Larrosa_I 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
57 16:17:51 20260210-1454-B400_B.14-57 10 H1_Day d93111sd + + - + + + + Ref IL-SD-96-silicafilt Group Larrosa_I
56 16:12:55 20260210-1453-B400_B.14-56 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-crude Group Larrosa_I 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
56 16:08:18 20260210-1453-B400_B.14-56 10 H1_Day d93111sd + + - + + + + Ref IL-SD-96-crude Group Larrosa_I
55 16:03:30 20260210-1452-B400_B.14-55 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-172 Group Larrosa_I 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
55 15:59:06 20260210-1452-B400_B.14-55 10 H1_Day d93111sd + + - + + + + Ref IL-SD-172 Group Larrosa_I
54 15:54:27 20260210-1427-B400_B.14-54 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,5diCF3 Group Procter_D
53 15:50:16 20260210-1426-B400_B.14-53 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,5DiMe Group Procter_D
52 15:44:25 20260210-1426-B400_B.14-52 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2SMe Group Procter_D
51 15:38:17 20260210-1449-B400_B.14-51 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-94t Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
51 15:33:43 20260210-1449-B400_B.14-51 10 H1_Day d93111sd + + - + + + + Ref IL-SD-94t Group Larrosa_I
50 15:21:59 20260210-1429-B400_B.14-50 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 278 (crude) Group Procter_D
49 15:09:48 20260210-1428-B400_B.14-49 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 276 (crude) Group Procter_D
47 15:05:36 20260210-1425-B400_B.14-47 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2CN Group Procter_D
46 15:01:24 20260210-1424-B400_B.14-46 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,4methylenedioxy Group Procter_D
45 14:56:19 20260210-1424-B400_B.14-45 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2F3OMe Group Procter_D
44 14:51:37 20260210-1421-B400_B.14-44 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-704-iso Group Trowbridge_A
40 14:47:06 20260210-1420-B400_B.14-40 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-703-1 Group Trowbridge_A
36 14:42:23 20260210-1409-B400_B.14-36 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-178-P3 Group DeBo_G
35 14:37:21 20260210-1407-B400_B.14-35 10 H1_Day b59259yj + + - + + + + Ref MLT_LSM-18f 30 h Group Turner_M
33 14:32:07 20260210-1352-B400_B.14-33 10 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA009 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
32 14:27:44 20260210-1351-B400_B.14-32 10 H1_Day q25190ha + + - + + + + Ref REPW HA018 Group Winpenny_R
30 14:23:14 20260210-1408-B400_B.14-30 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-178--P2 Group DeBo_G
29 14:18:40 20260210-1346-B400_B.14-29 10 H1_Day p69237rb + + - + + + + Ref gcrbp20bc Group Crisenza_G
28 14:12:23 20260210-1344-B400_B.14-28 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-rs-182 retry crystal Group DeBo_G
28 14:08:05 20260210-1344-B400_B.14-28 10 H1_Day z40973rs + + - + + + + Ref gdb-rs-182 retry crystal Group DeBo_G
27 14:03:16 20260210-1340-B400_B.14-27 10 H1_Day y03998so + + - + + + + Ref DJP SO85.2 Group Procter_D
26 14:00:29 20260210-1332-B400_B.14-26 12 F19_CPD_Day q50682hk - + - - - + + Ref HK-130-2 Group Willcox_D 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 13:57:12 20260210-1332-B400_B.14-26 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-130-2 Group Willcox_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/Willcox_D/data/q50682hk/nmr/20260210-1332-B400_B.14-26/11/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/Willcox_D/data/q50682hk/nmr/20260210-1332-B400_B.14-26/11/pdata/1/peaks!
26 13:52:49 20260210-1332-B400_B.14-26 10 H1_Day q50682hk + + - + + + + Ref HK-130-2 Group Willcox_D
24 13:47:49 20260210-1331-B400_B.14-24 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1003-ac-s4 Group Procter_D
21 13:30:51 20260210-1131-B400_B.14-21 11 C13_CPD_Night256 z40973rs + + - + + + + Ref gdb-tlt-02 Group DeBo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18 13:26:17 20260210-1323-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-748-col Group Greaney_M
14 13:22:01 20260210-1316-B400_B.14-14 10 H1_Day e66390fk + + - + + + + Ref fk005 Group Gardiner_J
11 13:17:36 20260210-1307-B400_B.14-11 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-049-C Group Greaney_M
10 13:15:26 20260210-1241-B400_B.14-10 11 F19_CPD_Day q25190ha - + - - - + + Ref REPW HA018 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
10 13:11:06 20260210-1241-B400_B.14-10 10 H1_Day q25190ha + + - + + + + Ref REPW HA018 Group Winpenny_R
9 13:06:03 20260210-1241-B400_B.14-9 10 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA009 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
2 13:03:24 20260210-1236-B400_B.14-2 10 H1_Day v19233ne + + - x - - - Ref MMMMIG-NE-NE002.1_200_t0 Group Other Lock failed after multiple attempts, lock: Command 'lock DMSO' failed. Lock is OFF, Command 'lock DMSO' failed. Lock is OFF
55 13:03:09 20260210-1301-B400_B.14-55 10 H1_Day y03998so - - - - - - - Ref DJP SO85.2 Group Procter_D
54 12:58:39 20260210-1242-B400_B.14-54 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-706-flush Group Trowbridge_A
53 12:54:08 20260210-1207-B400_B.14-53 10 H1_Day f09303eg + + - + + + + Ref N3Aib4 Group Webb_S
52 12:49:52 20260210-1206-B400_B.14-52 10 H1_Day f09303eg + + - + + + + Ref N3AibOH Group Webb_S
51 12:45:23 20260210-1203-B400_B.14-51 10 H1_Day f09303eg + + - + + + + Ref N3AibOtBu Group Webb_S
50 12:40:50 20260210-1202-B400_B.14-50 10 H1_Day f09303eg + + - + + + + Ref EG32 crude Group Webb_S
49 12:36:28 20260210-1146-B400_B.14-49 10 H1_Day j83970qc + + - + + + + Ref qc e759 et2o Group DeBo_G
47 12:31:48 20260210-1134-B400_B.14-47 10 H1_Day m30384it + + - + + + + Ref IT-01-015 20h Group Gibson_M
46 12:27:42 20260210-1134-B400_B.14-46 10 H1_Day m30384it + + - + + + + Ref IT-01-014 20h Group Gibson_M
45 12:23:45 20260210-1134-B400_B.14-45 10 H1_Day m30384it + + - + + + + Ref IT-01-013 20h Group Gibson_M
44 12:19:41 20260210-1134-B400_B.14-44 10 H1_Day m30384it + + - + + + + Ref IT-01-012 20h Group Gibson_M
40 12:13:24 20260210-1159-B400_B.14-40 11 H1_COSY_Day f09303eg - + - - - + + Ref SJW-SM037 Group Webb_S
40 12:09:14 20260210-1159-B400_B.14-40 10 H1_Day f09303eg + + - + + + + Ref SJW-SM037 Group Webb_S
29 12:04:59 20260210-1130-B400_B.14-29 10 H1_Day m30384it + + - + + + + Ref IT-01-015 initial Group Gibson_M
28 12:00:31 20260210-1130-B400_B.14-28 10 H1_Day m30384it + + - + + + + Ref IT-01-014 initial Group Gibson_M
27 11:56:00 20260210-1130-B400_B.14-27 10 H1_Day m30384it + + - + + + + Ref IT-01-013 initial Group Gibson_M
26 11:51:13 20260210-1129-B400_B.14-26 10 H1_Day m30384it + + - + + + + Ref IT-01-012 initial Group Gibson_M
21 11:46:47 20260210-1131-B400_B.14-21 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-02 Group DeBo_G
20 11:42:18 20260210-1128-B400_B.14-20 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-706-F12-17 Group Trowbridge_A
19 11:37:42 20260210-1128-B400_B.14-19 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-706-F1 Group Trowbridge_A
18 11:33:40 20260210-1128-B400_B.14-18 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-705-iso Group Trowbridge_A
15 11:17:42 20260210-0036-B400_B.14-15 11 C13_DEPTQ_Night a74776dr - + - - - + + Ref sph Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 10:19:31 20260210-0036-B400_B.14-15 10 C13_DEPT90_Night a74776dr + + - + + + + Ref sph Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 10:14:06 20260210-0036-B400_B.14-15 10 C13_DEPT90_Night a74776dr + + - + - - - Ref sph Group Procter_D Automation was stopped by user
13 10:09:22 20260209-1643-B400_B.14-13 15 H1_Night a15978el + + - + + + + Ref MJJ-AS-01-024-P Group James_M
53 10:05:08 20260210-0943-B400_B.14-53 10 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA009b with Py 1 to 2 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
52 10:00:49 20260210-0942-B400_B.14-52 10 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA009b with Py 1 to 1 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
51 09:55:59 20260210-0942-B400_B.14-51 10 F19_CPD_Day q25190ha + + - + + + + Ref REPW HA009b Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
7 09:50:31 20260210-0742-B400_B.14-7 13 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-168-after Group Larrosa_I 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 09:46:13 20260210-0742-B400_B.14-7 12 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-168-after Group Larrosa_I
4 09:29:40 20260209-2139-B400_B.14-4 11 C13_CPD_Night256 f56027ch + + - + + + + Ref OCNNCO_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 09:25:15 20260209-2139-B400_B.14-6 10 H1_Day f56027ch + + - + + + + Ref BenKun-1,3,4-N_H Group Schroder_M
5 09:20:57 20260209-2139-B400_B.14-5 10 H1_Day f56027ch + + - + + + + Ref BTAB_H Group Schroder_M
4 09:16:41 20260209-2139-B400_B.14-4 10 H1_Day f56027ch + + - + + + + Ref OCNNCO_H Group Schroder_M
46 09:11:43 20260210-0906-B400_B.14-46 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016-D Pip 100mg C6D6 Group James_M
44 09:06:44 20260210-0901-B400_B.14-44 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1003-ac-s2 Group Procter_D
42 09:02:16 20260209-2003-B400_B.14-42 10 H1_Day g23544jd + + - + + + + Ref ED-03-004-04-w Group James_M
41 08:57:43 20260209-2002-B400_B.14-41 10 H1_Day g23544jd + + - + + + + Ref ED-03-004-04-y Group James_M
39 08:53:14 20260209-1958-B400_B.14-39 10 H1_Day g23544jd + + - + + + + Ref ED-03-004-03 Group James_M
38 08:48:59 20260209-1957-B400_B.14-38 10 H1_Day g23544jd + + - + + + + Ref ED-03-004-02 Group James_M
37 08:44:26 20260209-1954-B400_B.14-37 10 H1_Day g23544jd + + - + + + + Ref ED-03-004-01 Group James_M
28 08:39:31 20260210-0749-B400_B.14-28 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-170 Group Larrosa_I 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 08:35:21 20260210-0749-B400_B.14-28 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-170 Group Larrosa_I
27 08:30:33 20260209-1727-B400_B.14-27 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-169 Group Larrosa_I 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 08:17:26 20260209-1727-B400_B.14-27 11 H1_Quant_D1_25s_Day d93111sd + + - + + + + Ref IL-SD-169 Group Larrosa_I
26 08:12:38 20260203-1252-B400_B.14-26 17 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-168 Group Larrosa_I 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 08:06:27 20260203-1252-B400_B.14-26 16 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-168 Group Larrosa_I
25 08:00:14 20260209-1710-B400_B.14-25 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1002-ch Group Procter_D
24 07:55:09 20260210-0744-B400_B.14-24 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-96-e Group Larrosa_I 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 07:50:02 20260210-0744-B400_B.14-24 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-96-e Group Larrosa_I
23 07:43:26 20260209-1705-B400_B.14-23 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1003-ac Group Procter_D
13 07:21:11 20260209-1643-B400_B.14-13 14 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ-AS-01-024-P Group James_M
13 07:12:43 20260209-1643-B400_B.14-13 13 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ-AS-01-024-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 06:58:18 20260209-1643-B400_B.14-13 12 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ-AS-01-024-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 06:37:22 20260209-1643-B400_B.14-13 16 H1_C13_HMBC_US_Night a15978el + + - + + + + Ref MJJ-AS-01-024-P Group James_M
34 06:20:39 20260209-1040-B400_B.14-34 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-003-03 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 06:02:15 20260209-1041-B400_B.14-33 15 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-003-02 Group James_M
33 05:49:55 20260209-1041-B400_B.14-33 14 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-003-02 Group James_M
33 05:47:44 20260209-1041-B400_B.14-33 13 H1_Night g23544jd - + - - - + + Ref ED-03-003-02 Group James_M
33 04:29:06 20260209-1041-B400_B.14-33 12 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-003-02 Group James_M
33 04:12:38 20260209-1041-B400_B.14-33 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-003-02 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 03:54:13 20260209-1038-B400_B.14-32 15 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-003-01 Group James_M
32 03:41:54 20260209-1038-B400_B.14-32 14 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-003-01 Group James_M
32 03:39:43 20260209-1038-B400_B.14-32 13 H1_Night g23544jd - + - - - + + Ref ED-03-003-01 Group James_M
32 02:21:02 20260209-1038-B400_B.14-32 12 H1_COSY_NS32_Night g23544jd - + - - - + + Ref ED-03-003-01 Group James_M
32 02:04:25 20260209-1038-B400_B.14-32 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-003-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 02:00:00 20260209-1747-B400_B.14-16 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
18 01:27:01 20260209-1702-B400_B.14-18 16 C13_CPD_Night256 n29715ss + + - + + + + Ref DJP-SS-2Fisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 01:08:36 20260209-1640-B400_B.14-12 17 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ-AS-01-021-P Group James_M
12 00:44:59 20260209-1640-B400_B.14-12 16 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ-AS-01-021-P Group James_M
12 00:42:47 20260209-1640-B400_B.14-12 15 H1_Night a15978el - + - - - + + Ref MJJ-AS-01-021-P Group James_M
12 00:30:54 20260209-1640-B400_B.14-12 14 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ-AS-01-021-P Group James_M
12 00:22:26 20260209-1640-B400_B.14-12 13 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ-AS-01-021-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 00:05:22 20260209-1640-B400_B.14-12 12 C13_CPD_Night256 a15978el + + - + + + + Ref MJJ-AS-01-021-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 00:00:00 20260209-1747-B400_B.14-16 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
44 23:44:50 20260209-2033-B400_B.14-44 10 H1_Day j83970qc + + - + + + + Ref qc e758 ps et2o Group DeBo_G
47 22:59:26 20260209-1155-B400_B.14-47 11 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-001-02 Group James_M
47 22:54:29 20260209-1155-B400_B.14-47 10 H1_Night g23544jd + + - + + + + Ref ED-03-001-02 Group James_M
46 22:09:05 20260209-1154-B400_B.14-46 11 H1_NOESY_US_Night g23544jd - + - - - + + Ref ED-03-001-01 Group James_M
46 22:04:35 20260209-1154-B400_B.14-46 10 H1_Night g23544jd + + - + + + + Ref ED-03-001-01 Group James_M
16 22:00:00 20260209-1747-B400_B.14-16 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
57 21:51:47 20260209-2017-B400_B.14-57 11 F19_CPD_Day k48162ck + + - + + + + Ref 19F-pincer-Ph-Au-OAcF Group Romanov_A 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 21:39:27 20260209-1322-B400_B.14-28 13 H1_C13_HSQC_US_Night z40973rs - + - - - + + Ref gdb-tlt-01 full char Group DeBo_G
28 21:21:01 20260209-1322-B400_B.14-28 12 H1_C13_HMBC_US_Night z40973rs - + - - - + + Ref gdb-tlt-01 full char Group DeBo_G
28 21:16:24 20260209-1322-B400_B.14-28 11 H1_Night z40973rs + + - + + + + Ref gdb-tlt-01 full char Group DeBo_G
16 21:11:58 20260209-1747-B400_B.14-16 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
57 21:07:26 20260209-2017-B400_B.14-57 10 H1_Day k48162ck + + - + + + + Ref 1H-pincer-Ph-Au-OAcF Group Romanov_A
56 21:02:53 20260209-2008-B400_B.14-56 10 H1_Day f56027ch + + - + + + + Ref 260209-product-2 Group Schroder_M
17 20:46:03 20260209-1701-B400_B.14-17 16 C13_CPD_Night256 n29715ss + + - + + + + Ref DJP-SS-3,5DiFisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 20:41:37 20260209-1747-B400_B.14-16 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
36 20:37:21 20260209-1838-B400_B.14-36 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-706-cr Group Trowbridge_A
35 20:32:39 20260209-1755-B400_B.14-35 10 H1_Day m52750pm + + - + + + + Ref GCPM258cr-WS Group Crisenza_G
58 20:29:27 20260209-1659-B400_B.14-58 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA09 1 to 2 Group Winpenny_R
48 20:15:25 20260209-1454-B400_B.14-48 10 H1_Night128 j83970qc + + - + + + + Ref qc e759 ps Group DeBo_G
16 20:10:24 20260209-1747-B400_B.14-16 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
50 20:01:56 20260209-1330-B400_B.14-50 11 C13_DEPT135_Night z88883sp - + - - - + + Ref SP405a1 Group Romanov_A Annealed sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 19:44:34 20260209-1330-B400_B.14-50 10 C13_CPD_Night256 z88883sp + + - + + + + Ref SP405a1 Group Romanov_A Annealed sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 19:40:00 20260209-1747-B400_B.14-16 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
57 19:35:29 20260209-1658-B400_B.14-57 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA09 1 to 1 Group Winpenny_R
56 19:32:10 20260209-1658-B400_B.14-56 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA09 Group Winpenny_R
49 19:14:56 20260209-1241-B400_B.14-49 10 C13_CPD_Night256 m52750pm + + - + + + + Ref gcpm256carb Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 19:10:00 20260209-1747-B400_B.14-16 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
44 18:54:14 20260209-1454-B400_B.14-44 10 H1_Night128 j83970qc + + - + + + + Ref qc e758 ps Group DeBo_G
16 18:48:58 20260209-1747-B400_B.14-16 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
30 18:43:28 20260205-1047-B400_B.14-30 15 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-88-cd Group Larrosa_I 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
30 18:38:22 20260205-1047-B400_B.14-30 14 H1_Day d93111sd + + - + + + + Ref IL-SD-88-cd Group Larrosa_I
29 18:33:33 20260209-1727-B400_B.14-29 10 H1_Day p10102hz + + - + + + + Ref JDR30 Group Procter_D
16 18:28:38 20260209-1747-B400_B.14-16 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
27 18:23:16 20260209-1727-B400_B.14-27 10 H1_Day p10102hz + + - + + + + Ref JDR28 Group Procter_D
24 18:18:39 20260209-1706-B400_B.14-24 10 H1_Day h68355ac + + - + x + + Ref djp-oc-1006-is Group Procter_D topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
22 18:14:20 20260209-1704-B400_B.14-22 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4CF3isoilated Group Procter_D
16 18:09:46 20260209-1747-B400_B.14-16 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
21 18:06:11 20260209-1516-B400_B.14-21 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC7-repeat 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/20260209-1516-B400_B.14-21/10/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/20260209-1516-B400_B.14-21/10/pdata/1/peaks!
20 18:03:09 20260209-1507-B400_B.14-20 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-14-1 pp1 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 17:58:23 20260209-1507-B400_B.14-20 10 H1_Day c62220rg + + - + + + + Ref nk 1-14-1 pp1 Group Trowbridge_A
18 17:53:51 20260209-1702-B400_B.14-18 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2Fisolated Group Procter_D
16 17:49:21 20260209-1747-B400_B.14-16 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-16 Group Leigh_D fuelled at 17:46 09/02/2026
17 17:45:04 20260209-1701-B400_B.14-17 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,5DiFisolated Group Procter_D
16 17:40:33 20260209-1611-B400_B.14-16 10 H1_Day g36620hh + + - + + + + Ref HH23.3 Group Mills_D
15 17:36:17 20260209-1611-B400_B.14-15 10 H1_Day g36620hh + + - + + + + Ref HH23.2 Group Mills_D
13 17:34:23 20260209-1643-B400_B.14-13 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ-AS-01-024-P Group James_M 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 17:29:48 20260209-1643-B400_B.14-13 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-024-P Group James_M
12 17:27:55 20260209-1640-B400_B.14-12 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ-AS-01-021-P Group James_M 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 17:23:19 20260209-1640-B400_B.14-12 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-021-P Group James_M
10 17:19:55 20260209-1617-B400_B.14-10 10 H1_Quant_NS1_Day s52134ad + + - + - + + Ref AJD J77 (pH 7, stock) 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/s52134ad/nmr/20260209-1617-B400_B.14-10/10/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/s52134ad/nmr/20260209-1617-B400_B.14-10/10/pdata/1/peaks!
9 17:00:15 20260209-1605-B400_B.14-9 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-148-m Group Larrosa_I 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
9 16:55:36 20260209-1605-B400_B.14-9 10 H1_Day d93111sd + + - + + + + Ref IL-SD-148-m Group Larrosa_I
8 16:50:06 20260209-1604-B400_B.14-8 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-88-ab Group Larrosa_I 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
8 16:45:47 20260209-1604-B400_B.14-8 10 H1_Day d93111sd + + - + + + + Ref IL-SD-88-ab Group Larrosa_I
7 16:41:17 20260209-1539-B400_B.14-7 10 H1_Day f56027ch + + - + + + + Ref xxt-23-un Group Schroder_M
6 16:35:01 20260209-1538-B400_B.14-6 11 H1_COSY_Day f56027ch - + - - - + + Ref xxt-25 Group Schroder_M
6 16:30:31 20260209-1538-B400_B.14-6 10 H1_Day f56027ch + + - + + + + Ref xxt-25 Group Schroder_M
5 16:24:15 20260209-1537-B400_B.14-5 11 H1_COSY_Day f56027ch - + - - - + + Ref xxt-23 Group Schroder_M
5 16:19:58 20260209-1537-B400_B.14-5 10 H1_Day f56027ch + + - + + + + Ref xxt-23 Group Schroder_M
2 16:15:29 20260203-1133-B400_B.14-2 11 H1_Day f09303eg + + - + + + + Ref dte29d Group Webb_S
1 16:10:30 20260203-1132-B400_B.14-1 11 H1_Day f09303eg + + - + + + + Ref dte29c Group Webb_S
60 16:06:14 20260209-1547-B400_B.14-60 10 H1_Day f09303eg + + - + + + + Ref dte29 a Group Webb_S
59 16:01:00 20260203-1644-B400_B.14-59 13 H1_Day f09303eg + + - + + + + Ref dte29b Group Webb_S
58 15:56:01 20260209-1530-B400_B.14-58 10 H1_Day m52750pm + + - + + + + Ref GC_MP015+i.s. Group Crisenza_G
57 15:51:18 20260209-1530-B400_B.14-57 10 H1_Day m52750pm + + - + + + + Ref GC_MP014+i.s. Group Crisenza_G
56 15:46:36 20260209-1529-B400_B.14-56 10 H1_Day m52750pm + + - + + + + Ref GC_MP013+i.s. Group Crisenza_G
55 15:44:29 20260209-1523-B400_B.14-55 10 H1_Quant_D1_25s_Day s52134ad - - - - - - - Ref AJD J77 (pH 7, stock) Group Larrosa_I
54 15:42:38 20260209-1504-B400_B.14-54 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-125 Group James_M 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 15:37:56 20260209-1504-B400_B.14-54 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-125 Group James_M
53 15:35:06 20260209-1504-B400_B.14-53 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-124 Group James_M 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
53 15:30:21 20260209-1504-B400_B.14-53 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-124 Group James_M
52 15:24:05 20260209-1459-B400_B.14-52 11 H1_COSY_Day v61651mp - + - - - + + Ref Residue from reflux MIP05 Group Shaver_M
52 15:19:51 20260209-1459-B400_B.14-52 10 H1_Day v61651mp + + - + + + + Ref Residue from reflux MIP05 Group Shaver_M
51 15:15:28 20260209-1458-B400_B.14-51 10 P31_CPD_Day v61651mp + + - + + + + Ref TCPP 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
45 15:09:53 20260203-0936-B400_B.14-45 14 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-sd-94-s Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
45 15:05:36 20260203-0936-B400_B.14-45 13 H1_Day d93111sd + + - + + + + Ref IL-sd-94-s Group Larrosa_I
43 14:50:01 20260209-1132-B400_B.14-43 11 C13_CPD_Night256 q50682hk + + - + - + + Ref cjc-dw-10-wknd_Pd(COD)Cl2 Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1132-B400_B.14-43/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1132-B400_B.14-43/11/pdata/1/peaks!
38 14:45:31 20260209-1441-B400_B.14-38 10 H1_Day j40457bh + + - + + + + Ref bh ah 272 c1 s2 Group Trowbridge_A
37 14:41:00 20260209-1416-B400_B.14-37 10 H1_Day m52750pm + + - + + + + Ref GC_MP015_check Group Crisenza_G
36 14:36:31 20260209-1415-B400_B.14-36 10 H1_Day m52750pm + + - + + + + Ref GC_MP014_check Group Crisenza_G
35 14:32:11 20260209-1415-B400_B.14-35 10 H1_Day m52750pm + + - + + + + Ref GC_MP013_check Group Crisenza_G
31 14:22:19 20260209-1401-B400_B.14-31 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC7 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/20260209-1401-B400_B.14-31/11/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/20260209-1401-B400_B.14-31/11/pdata/1/peaks!
31 14:18:44 20260209-1401-B400_B.14-31 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC7 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/20260209-1401-B400_B.14-31/10/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/20260209-1401-B400_B.14-31/10/pdata/1/peaks!
29 14:13:27 20260209-1357-B400_B.14-29 10 F19_CPD_Day z40241jm + + - + + + + Ref DJP-JIM-8-kineticsproduct19F Group Procter_D 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 13:56:33 20260209-1322-B400_B.14-28 10 C13_CPD_Night256 z40973rs + + - + + + + Ref gdb-tlt-01 full char Group DeBo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 13:51:38 20260203-1133-B400_B.14-2 11 H1_Day z86427mk + + - + + + + Ref MK-293-C F23 Group Procter_D
1 13:46:57 20260203-1132-B400_B.14-1 11 H1_Day z86427mk + + - + + + + Ref MK-293-C F18 Group Procter_D
60 13:42:41 20260209-1339-B400_B.14-60 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-165-check Group DeBo_G
58 13:31:36 20260209-1315-B400_B.14-58 10 C13_DEPT135_Night a74776dr + + - + + + + Ref DJP-DR-1-490 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 13:27:41 20260209-1315-B400_B.14-57 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-493-cr Group Procter_D
56 13:22:48 20260209-1315-B400_B.14-56 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-492-cr Group Procter_D
55 13:18:18 20260209-1314-B400_B.14-55 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
54 13:13:27 20260209-1310-B400_B.14-54 10 H1_Day p10102hz + + - + + + + Ref JDR27col Group Procter_D
52 13:10:49 20260209-1251-B400_B.14-52 13 P31_Extrawide_Day r57145lg - + - - - + + Ref capg_LPG116_KC8_OverWkd Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 13:06:24 20260209-1251-B400_B.14-52 12 P31_Wide_Day r57145lg - + - - - + + Ref capg_LPG116_KC8_OverWkd Group Goodwin_C sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 13:04:57 20260209-1251-B400_B.14-52 11 H1_ExtraWide_Day r57145lg - + - - - + + Ref capg_LPG116_KC8_OverWkd Group Goodwin_C
52 13:00:39 20260209-1251-B400_B.14-52 10 H1_Day r57145lg + + - + + + + Ref capg_LPG116_KC8_OverWkd Group Goodwin_C
48 12:57:29 20260209-1240-B400_B.14-48 10 H1_Day h68355ac + + - + - + + Ref djp-oc-1004-is Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260209-1240-B400_B.14-48/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260209-1240-B400_B.14-48/10/pdata/1/peaks!
44 12:53:06 20260209-1229-B400_B.14-44 10 H1_Day y01348dm + + - + + + + Ref ax_04 Group Keerthi_A
42 12:48:10 20260209-1228-B400_B.14-42 10 H1_Day y01348dm + + - + + + + Ref ax_05ish Group Keerthi_A
41 12:43:38 20260209-1228-B400_B.14-41 10 H1_Day y01348dm + + - + + + + Ref ax_05_2 Group Keerthi_A
40 12:40:14 20260203-1412-B400_B.14-40 11 H1_Day h68355ac + + - + - + + Ref djp-oc-1005-is Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260203-1412-B400_B.14-40/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260203-1412-B400_B.14-40/11/pdata/1/peaks!
39 12:35:34 20260209-1227-B400_B.14-39 10 H1_Day y01348dm + + - + + + + Ref ax_05_1 Group Keerthi_A
38 12:30:48 20260209-1208-B400_B.14-38 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-22R Group DeBo_G
37 12:26:13 20260209-1207-B400_B.14-37 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-1-2 Group DeBo_G
28 12:19:54 20260209-1205-B400_B.14-28 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-tlt-01 Group DeBo_G
28 12:15:11 20260209-1205-B400_B.14-28 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-01 Group DeBo_G
27 12:10:40 20260209-1204-B400_B.14-27 10 H1_Day q62112nk + + - + + + + Ref DJP SO84.2 Group Procter_D
25 12:07:26 20260209-1153-B400_B.14-25 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA13 with py 1 to 2 Group Winpenny_R
24 12:04:27 20260209-1152-B400_B.14-24 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA13 with py 1 to 1 Group Winpenny_R
23 12:00:56 20260209-1152-B400_B.14-23 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA13 Group Winpenny_R
6 11:56:24 20260209-1142-B400_B.14-6 10 H1_Day f56027ch + + - + + + + Ref 260209-ligand-2 Group Schroder_M
5 11:50:46 20260209-1142-B400_B.14-5 10 H1_Day f56027ch + + - + + + + Ref 260209-sub-nh2 Group Schroder_M
44 11:46:23 20260209-1136-B400_B.14-44 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-11 washed Group Riddell_I
43 11:43:15 20260209-1132-B400_B.14-43 10 H1_Day q50682hk + + - + - + + Ref cjc-dw-10-wknd_Pd(COD)Cl2 Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1132-B400_B.14-43/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1132-B400_B.14-43/10/pdata/1/peaks!
42 11:41:02 20260209-1119-B400_B.14-42 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-14-2 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 11:36:46 20260209-1119-B400_B.14-42 10 H1_Day c62220rg + + - + + + + Ref nk 1-14-2 Group Trowbridge_A
41 11:34:10 20260209-1118-B400_B.14-41 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-14-1 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
41 11:28:41 20260209-1118-B400_B.14-41 10 H1_Day c62220rg + + - + + + + Ref nk 1-14-1 Group Trowbridge_A
6 11:22:58 20260209-1015-B400_B.14-6 10 H1_Wide_Day f56027ch + + - + + + + Ref 260208-ligand-2 Group Schroder_M
5 11:17:00 20260209-1015-B400_B.14-5 10 H1_Wide_Day f56027ch + + - + + + + Ref 260208-sub-2 Group Schroder_M
36 11:14:43 20260209-1054-B400_B.14-36 12 H1_Day q50682hk - + - - - + + Ref cjc-dw-9-1d-overweekend_oilbath30oC Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1054-B400_B.14-36/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1054-B400_B.14-36/12/pdata/1/peaks!
36 11:11:23 20260209-1054-B400_B.14-36 11 B11_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-1d-overweekend_oilbath30oC Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1054-B400_B.14-36/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260209-1054-B400_B.14-36/11/pdata/1/peaks!
36 11:08:08 20260209-1054-B400_B.14-36 10 P31_CPD_Day q50682hk + + - + - + + Ref cjc-dw-9-1d-overweekend_oilbath30oC Group Willcox_D
35 11:03:54 20260209-1046-B400_B.14-35 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-15 Group DeBo_G
34 10:59:10 20260209-1040-B400_B.14-34 10 H1_Day g23544jd + + - + + + + Ref ED-03-003-03 Group James_M
33 10:54:39 20260209-1041-B400_B.14-33 10 H1_Day g23544jd + + - + + + + Ref ED-03-003-02 Group James_M
32 10:50:09 20260209-1038-B400_B.14-32 10 H1_Day g23544jd + + - + + + + Ref ED-03-003-01 Group James_M
31 10:48:03 20260209-1033-B400_B.14-31 12 P31_CPD_Day q17816aj - + - - - + + Ref IR-AJ-033b Group Riddell_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
31 10:45:48 20260209-1033-B400_B.14-31 11 P31_Wide_Day q17816aj - + - - - + + Ref IR-AJ-033b Group Riddell_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
31 10:41:18 20260209-1033-B400_B.14-31 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-033b Group Riddell_I
29 10:38:16 20260209-1024-B400_B.14-29 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA13 with py 1 to 2 Group Winpenny_R
28 10:34:55 20260209-1024-B400_B.14-28 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA13 with py 1 to 1 Group Winpenny_R
27 10:31:25 20260209-1023-B400_B.14-27 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA13 Group Winpenny_R
18 10:26:49 20260209-1014-B400_B.14-18 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-22 Group Riddell_I
17 10:22:34 20260209-1014-B400_B.14-17 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-21C.3 Group Riddell_I
16 10:18:30 20260209-1014-B400_B.14-16 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-21B.3 Group Riddell_I
15 10:14:25 20260209-1013-B400_B.14-15 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-02-21A Group Riddell_I
6 09:58:45 20260209-0950-B400_B.14-6 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 260209-oet-purchase Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 09:51:25 20260209-0950-B400_B.14-5 10 H1_WaterSupp_Day f56027ch + + - + + + + Ref 260209-sub Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 09:11:31 20260209-0905-B400_B.14-23 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016-D Pip 25mg in dry C6D6 Group James_M
22 09:07:25 20260209-0905-B400_B.14-22 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016-D Pip 10mg in dry C6D6 Group James_M
4 04:00:00 20260208-1834-B400_B.14-4 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
4 02:00:00 20260208-1834-B400_B.14-4 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
7 00:04:26 20260208-1725-B400_B.14-7 10 H1_Night128 j83970qc + + - + + + + Ref qc e757 psp dmecn Group DeBo_G
4 00:00:00 20260208-1834-B400_B.14-4 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
6 22:04:40 20260208-1724-B400_B.14-6 10 H1_Night128 j83970qc + + - + + + + Ref qc e756 psp dmecn Group DeBo_G
4 22:00:00 20260208-1834-B400_B.14-4 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
8 21:04:05 20260208-1726-B400_B.14-8 10 H1_COSYDQF_Night mbdxkrn2 + + - + + + + Ref qc-035-6p Group DeBo_G
4 21:00:01 20260208-1834-B400_B.14-4 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
4 20:30:00 20260208-1834-B400_B.14-4 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
4 20:10:00 20260208-1834-B400_B.14-4 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
4 19:54:05 20260208-1834-B400_B.14-4 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
15 19:39:13 20260208-1748-B400_B.14-15 11 C13_CPD_Night256 w81612cw - + - - - + + Ref IL-AMN-05-126-Column Group Mehta_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 19:34:42 20260208-1748-B400_B.14-15 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-05-126-Column Group Mehta_M
4 19:30:00 20260208-1834-B400_B.14-4 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
13 19:22:58 20260208-1747-B400_B.14-13 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-Reference Sample - 2-Phenoxypyridine Group Mehta_M
12 19:18:45 20260208-1746-B400_B.14-12 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-05-133-CRM Group Mehta_M
10 19:14:14 20260208-1744-B400_B.14-10 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-05-132-CRM Group Mehta_M
4 19:10:00 20260208-1834-B400_B.14-4 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
9 19:03:49 20260208-1742-B400_B.14-9 10 H1_Day f56027ch + + - + + + + Ref 260208-oetme-1 Group Schroder_M
4 18:58:51 20260208-1834-B400_B.14-4 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-15 Group Leigh_D fuelled at 18:36 08/02/2026
5 17:28:42 20260208-1724-B400_B.14-5 10 H1_Night128 j83970qc + + - + + + + Ref qc e755 psp dmecn Group DeBo_G
21 17:14:05 20260208-1713-B400_B.14-21 10 H1_Day w81612cw + + - + + + + Ref IL-CKW-PJ3-179 B after recrys Group Mehta_M
53 16:49:33 20260208-1649-B400_B.14-53 10 H1_Day j40457bh + + - + + + + Ref bh ah 272 Group Trowbridge_A
51 16:13:13 20260208-1605-B400_B.14-51 10 H1_Day h91839em + + - + + + + Ref gc rbp 19 A Group Crisenza_G
50 16:08:56 20260208-1604-B400_B.14-50 10 H1_Day h91839em + + - + + + + Ref gc Em rep rbp16B Group Crisenza_G
49 16:04:28 20260208-1603-B400_B.14-49 10 H1_Day h91839em + + - + + + + Ref gc em Noc Ad Group Crisenza_G
48 15:50:11 20260208-1550-B400_B.14-48 10 H1_Day j40457bh + + - + + + + Ref bh ah 274 Group Trowbridge_A
4 15:00:25 20260208-1459-B400_B.14-4 10 H1_Day f56027ch + + - + + + + Ref 260208-ligand-1 Group Schroder_M
16 11:13:10 20260208-1104-B400_B.14-16 10 H1_Day d93111sd + + - + + + + Ref IL-SD-167-crude Group Larrosa_I
15 11:08:11 20260208-1103-B400_B.14-15 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-88-d Group Larrosa_I 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
15 11:04:07 20260208-1103-B400_B.14-15 10 H1_Day d93111sd + + - + + + + Ref IL-SD-88-d Group Larrosa_I
9 09:51:57 20260208-0946-B400_B.14-9 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137--aftter Group Larrosa_I 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
9 09:47:43 20260208-0946-B400_B.14-9 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137--aftter Group Larrosa_I
8 09:13:58 20260208-0909-B400_B.14-8 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-161R-after Group Larrosa_I 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 09:10:22 20260208-0909-B400_B.14-8 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-161R-after Group Larrosa_I
7 08:43:07 20260208-0837-B400_B.14-7 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-161R Group Larrosa_I 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 08:38:53 20260208-0837-B400_B.14-7 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-161R Group Larrosa_I
16 08:00:00 20260207-1707-B400_B.14-16 24 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 06:00:00 20260207-1707-B400_B.14-16 23 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 04:00:01 20260207-1707-B400_B.14-16 22 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 02:00:00 20260207-1707-B400_B.14-16 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
13 00:05:43 20260207-2340-B400_B.14-13 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2,6dimethyl Group Procter_D
16 00:01:13 20260207-1707-B400_B.14-16 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
12 23:57:02 20260207-2340-B400_B.14-12 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2Fluoro Group Procter_D
10 23:52:47 20260207-2339-B400_B.14-10 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4acetyl Group Procter_D
6 23:48:38 20260207-2338-B400_B.14-6 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4CF3 Group Procter_D
5 23:44:15 20260207-2338-B400_B.14-5 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,5Dimethoxy Group Procter_D
4 23:39:48 20260207-2338-B400_B.14-4 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-3,5Difluoro Group Procter_D
16 22:00:00 20260207-1707-B400_B.14-16 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
24 21:23:42 20260207-2112-B400_B.14-24 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-488-cr Group Procter_D
23 21:19:18 20260207-2112-B400_B.14-23 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-487-cr Group Procter_D
22 21:14:58 20260207-2112-B400_B.14-22 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-489-cr Group Procter_D
16 21:00:00 20260207-1707-B400_B.14-16 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 20:30:00 20260207-1707-B400_B.14-16 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
21 20:13:48 20260207-2013-B400_B.14-21 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
16 20:00:00 20260207-1707-B400_B.14-16 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 19:38:26 20260207-1707-B400_B.14-16 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
17 19:23:33 20260207-1918-B400_B.14-17 11 C13_CPD_Night256 g16660ml - + - - - + + Ref djp-muze-substrate-right-para-styrene Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 19:19:28 20260207-1918-B400_B.14-17 10 H1_Night g16660ml + + - + + + + Ref djp-muze-substrate-right-para-styrene Group Procter_D
17 19:04:12 20260207-1902-B400_B.14-17 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
16 19:00:00 20260207-1707-B400_B.14-16 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
9 18:49:20 20260207-1840-B400_B.14-9 10 H1_Quant_Night z40241jm + + - + + + + Ref DJP-JIM-8-033-1b Group Procter_D
8 18:40:37 20260207-1840-B400_B.14-8 10 H1_Quant_Night z40241jm + + - + + + + Ref DJP-JIM-8-033-1a Group Procter_D
16 18:30:00 20260207-1707-B400_B.14-16 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 18:09:51 20260207-1707-B400_B.14-16 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
8 18:04:57 20260207-1751-B400_B.14-8 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-165-after Group Larrosa_I 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 18:00:16 20260207-1751-B400_B.14-8 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-165-after Group Larrosa_I
7 17:55:31 20260207-1750-B400_B.14-7 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-164-after Group Larrosa_I 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 17:51:39 20260207-1750-B400_B.14-7 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-164-after Group Larrosa_I
16 17:36:00 20260207-1707-B400_B.14-16 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
16 17:08:14 20260207-1707-B400_B.14-16 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-14 Group Leigh_D fuelled at 17:06 07/02/2026
6 16:44:25 20260207-1622-B400_B.14-6 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-163-after Group Larrosa_I 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 16:40:24 20260207-1622-B400_B.14-6 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-163-after Group Larrosa_I
5 16:35:38 20260207-1621-B400_B.14-5 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-162-after Group Larrosa_I 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 16:31:28 20260207-1621-B400_B.14-5 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-162-after Group Larrosa_I
4 16:26:04 20260207-1620-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-161-after Group Larrosa_I 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
4 16:21:30 20260207-1620-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-161-after Group Larrosa_I
20 15:46:09 20260207-1545-B400_B.14-20 10 H1_Day v73981ac + + - + + + + Ref ILAC172-F3 Group Larrosa_I
20 15:09:43 20260207-1508-B400_B.14-20 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-cyclohexylacid Group Procter_D
18 15:05:07 20260207-1504-B400_B.14-18 10 H1_Day j40457bh + + - + + + + Ref bh ah 271 Group Trowbridge_A
17 14:15:11 20260207-1351-B400_B.14-17 12 C13_DEPT135_Night h91839em - + - - - + + Ref gc em 203 rep Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 14:00:15 20260207-1351-B400_B.14-17 11 C13_CPD_Night256 h91839em - + - - - + + Ref gc em 203 rep Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 13:55:26 20260207-1351-B400_B.14-17 10 H1_Day h91839em + + - + + + + Ref gc em 203 rep Group Crisenza_G
16 13:49:40 20260207-1317-B400_B.14-16 10 H1_Wide_Day x25009jo + + - + + + + Ref GDB-JO-IP-012-2 crude Group DeBo_G
15 13:44:50 20260207-1252-B400_B.14-15 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-165 Group Larrosa_I 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 13:40:54 20260207-1252-B400_B.14-15 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-165 Group Larrosa_I
13 13:36:05 20260207-1250-B400_B.14-13 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-164 Group Larrosa_I 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 13:31:40 20260207-1250-B400_B.14-13 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-164 Group Larrosa_I
12 13:26:49 20260207-1249-B400_B.14-12 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-163 Group Larrosa_I 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 13:22:37 20260207-1249-B400_B.14-12 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-163 Group Larrosa_I
10 13:17:47 20260207-1247-B400_B.14-10 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-162 Group Larrosa_I 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 13:13:19 20260207-1247-B400_B.14-10 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-162 Group Larrosa_I
6 13:08:34 20260207-1246-B400_B.14-6 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-161 Group Larrosa_I 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 13:04:17 20260207-1246-B400_B.14-6 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-161 Group Larrosa_I
5 12:59:31 20260207-1245-B400_B.14-5 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-160 Group Larrosa_I 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 12:55:35 20260207-1245-B400_B.14-5 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-160 Group Larrosa_I
4 12:49:59 20260207-1243-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-166 Group Larrosa_I 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
4 12:45:08 20260207-1243-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-166 Group Larrosa_I
48 12:35:32 20260206-2054-B400_B.14-48 13 H1_Day j20588jh + + - + + + + Ref JH-DW-26.12 - DippZnAlCl BnN3 Group Willcox_D 48hrs @ 70
47 12:31:21 20260207-1127-B400_B.14-47 10 H1_Day e72206ov + + - + + + + Ref ov-011-b last (flush with meoh) Group DeBo_G
46 12:26:48 20260207-1126-B400_B.14-46 10 H1_Day e72206ov + + - + + + + Ref ov-011-b f2 Group DeBo_G
44 12:22:05 20260207-1125-B400_B.14-44 10 H1_Day e72206ov + + - + + + + Ref ov-011-b f1 Group DeBo_G
43 12:07:37 20260206-2258-B400_B.14-43 11 C13_CPD_Night256 f56027ch - + - - - + + Ref py salend ligand Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 12:03:01 20260206-2258-B400_B.14-43 10 H1_Day f56027ch + + - + + + + Ref py salend ligand Group Schroder_M
42 11:48:26 20260206-2257-B400_B.14-42 11 C13_CPD_Night256 f56027ch - + - - - + + Ref raw material py Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42 11:44:20 20260206-2257-B400_B.14-42 10 H1_Day f56027ch + + - + + + + Ref raw material py Group Schroder_M
41 11:29:23 20260206-2257-B400_B.14-41 11 C13_CPD_Night256 f56027ch - + - - - + + Ref raw material Br Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41 11:25:07 20260206-2257-B400_B.14-41 10 H1_Day f56027ch + + - + + + + Ref raw material Br Group Schroder_M
20 10:39:01 20260206-1648-B400_B.14-20 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc-612-1-p dbenzene 19f Group DeBo_G 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
18 09:52:32 20260206-1648-B400_B.14-18 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e757 psp dbenzene Group DeBo_G 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
17 09:05:59 20260206-1648-B400_B.14-17 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e756 psp dbenzene Group DeBo_G 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 09:00:01 20260206-1802-B400_B.14-28 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
49 08:47:50 20260206-2055-B400_B.14-49 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC171A-p2 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/20260206-2055-B400_B.14-49/11/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/20260206-2055-B400_B.14-49/11/pdata/1/peaks!
49 08:44:01 20260206-2055-B400_B.14-49 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC171A-p2 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/20260206-2055-B400_B.14-49/10/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/20260206-2055-B400_B.14-49/10/pdata/1/peaks!
16 07:57:06 20260206-1647-B400_B.14-16 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e755 psp dbenzene Group DeBo_G 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 06:26:45 20260206-1647-B400_B.14-15 10 H1_Night128 j83970qc + + - + + + + Ref qc e754 psp mdcn Group DeBo_G
8 06:09:42 20260206-1636-B400_B.14-8 11 C13_CPD_Night256 z40241jm + + - + + + + Ref DJP-JIM-8-031-1a Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 06:03:48 20260206-1802-B400_B.14-28 20 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
56 04:34:06 20260206-1454-B400_B.14-56 10 F19_CPD_Night_1024 mbdxkrn2 + + - + + + + Ref GDB-RN1632-2 MeCN-washed polymer - DCM-d2 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
55 03:04:29 20260206-1453-B400_B.14-55 10 F19_CPD_Night_1024 mbdxkrn2 + + - + + + + Ref GDB-RN1635-1 MeCN-washed polymer - DCM-d2 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
28 03:00:03 20260206-1802-B400_B.14-28 19 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
48 02:45:37 20260206-2054-B400_B.14-48 11 C13_CPD_Night256 v73981ac - + - - - + + Ref ILAC172-pure Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 02:40:51 20260206-2054-B400_B.14-48 10 H1_Day v73981ac + + - + + + + Ref ILAC172-pure Group Larrosa_I
8 02:26:30 20260206-1636-B400_B.14-8 10 H1_Night128 z40241jm + + - + + + + Ref DJP-JIM-8-031-1a Group Procter_D
60 02:12:05 20260206-1636-B400_B.14-60 11 C13_CPD_Night256 z40241jm - + - - - + + Ref DJP-JIM-8-kinetics-product Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 01:56:31 20260206-1636-B400_B.14-60 10 H1_Night128 z40241jm + + - + + + + Ref DJP-JIM-8-kinetics-product Group Procter_D
5 01:32:53 20260206-1150-B400_B.14-5 14 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-116 Group James_M
5 01:14:29 20260206-1150-B400_B.14-5 13 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-116 Group James_M
5 01:06:02 20260206-1150-B400_B.14-5 12 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ EL-04-116 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 00:51:36 20260206-1150-B400_B.14-5 11 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-116 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 00:46:38 20260206-1150-B400_B.14-5 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-116 Group James_M
4 00:38:10 20260206-1150-B400_B.14-4 14 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 00:25:51 20260206-1150-B400_B.14-4 13 H1_C13_HSQC_US_Night a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M
4 00:04:55 20260206-1150-B400_B.14-4 12 H1_C13_HMBC_US_Night a15978el + + - + + + + Ref MJJ EL-04-115 Group James_M
28 00:00:00 20260206-1802-B400_B.14-28 18 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
54 23:41:46 20260206-1754-B400_B.14-54 11 C13_CPD_Night256 g16660ml - + - - - + + Ref djp-muze-malonate-styrene Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 23:35:09 20260206-1754-B400_B.14-54 10 H1_Night g16660ml + + - + + + + Ref djp-muze-malonate-styrene Group Procter_D
6 23:11:31 20260206-1151-B400_B.14-6 16 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-122 Group James_M
6 22:53:08 20260206-1151-B400_B.14-6 15 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-122 Group James_M
6 22:41:15 20260206-1151-B400_B.14-6 14 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-122 Group James_M
6 22:32:47 20260206-1151-B400_B.14-6 13 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ EL-04-122 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 22:17:59 20260206-1151-B400_B.14-6 12 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-122 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 22:10:39 20260206-1151-B400_B.14-6 11 F19_NoCPD_Night a15978el - + - - - + + Ref MJJ EL-04-122 Group James_M 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 22:04:55 20260206-1151-B400_B.14-6 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-122 Group James_M
28 22:00:00 20260206-1802-B400_B.14-28 17 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
59 21:40:17 20260203-1644-B400_B.14-59 14 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC172-isolated Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46 21:22:50 20260206-1607-B400_B.14-46 11 C13_CPD_Night256 j40457bh + + - + + + + Ref bh ah 266 c1 s2 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4 21:05:33 20260206-1150-B400_B.14-4 11 C13_CPD_Night256 a15978el + + - + + + + Ref MJJ EL-04-115 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 21:00:00 20260206-1802-B400_B.14-28 16 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
47 20:51:27 20260206-2044-B400_B.14-47 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
44 20:34:28 20260206-1606-B400_B.14-44 11 C13_CPD_Night256 j40457bh + + - + + + + Ref bh ah 266 c1 s1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 20:30:00 20260206-1802-B400_B.14-28 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
35 20:13:47 20260206-1503-B400_B.14-35 10 H1_COSY_HiRes_Night x73847lm + + - + + + + Ref IR-LJM-02-17 Group Riddell_I
53 20:04:57 20260206-1452-B400_B.14-53 12 H1_Quant_Night t91715jk + + - + + + + Ref TP004 50:50 Group Gibson_M TP004 50:50
28 20:00:28 20260206-1802-B400_B.14-28 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
27 19:56:02 20260206-1749-B400_B.14-27 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-Reference Sample - 2-MethylBenzoic Acid Group Mehta_M
25 19:51:36 20260206-1748-B400_B.14-25 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-05-131-CRM Group Mehta_M
53 19:34:26 20260206-1452-B400_B.14-53 11 C13_CPD_Night256 t91715jk + + - + + + + Ref TP004 50:50 Group Gibson_M TP004 50:50 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 19:30:00 20260206-1802-B400_B.14-28 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
24 19:24:34 20260206-1746-B400_B.14-24 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-05-130-CRM Group Mehta_M
50 19:19:43 20260206-1724-B400_B.14-50 10 H1_Day q62112nk + + - + + + + Ref DJP SO85.1 Group Procter_D
31 19:05:10 20260206-0923-B400_B.14-31 14 H1_C13_HSQC_US_Night v73981ac + + - + + + + Ref ILAC171C-isolated Group Larrosa_I
28 19:00:30 20260206-1802-B400_B.14-28 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
49 18:55:51 20260206-1724-B400_B.14-49 10 H1_Day q62112nk + + - + + + + Ref DJP SO84.1 7,8,9 Group Procter_D
48 18:51:07 20260206-1723-B400_B.14-48 10 H1_Day q62112nk + + - + + + + Ref DJP SO84.1 6 Group Procter_D
47 18:46:20 20260206-1723-B400_B.14-47 10 H1_Day q62112nk + + - + + + + Ref DJP SO84.1 2,3,4 Group Procter_D
38 18:41:30 20260206-1643-B400_B.14-38 10 H1_Day w81612cw + + - + + + + Ref IL-CKW-PJ3-182 column F15-33 Group Mehta_M
28 18:37:09 20260206-1802-B400_B.14-28 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
37 18:32:49 20260206-1752-B400_B.14-37 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-Reference Sample - 4-IodoAnisole Group Mehta_M
36 18:28:20 20260206-1751-B400_B.14-36 10 H1_Quant_NS1_Day w81612cw + + - + + + + Ref IL-AMN-05-127-CRM Group Mehta_M
34 18:23:35 20260206-1715-B400_B.14-34 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-123.2 f78-110 Group James_M
33 18:18:56 20260206-1715-B400_B.14-33 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-131-c Group James_M
32 18:14:29 20260206-1715-B400_B.14-32 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-127-c Group James_M
28 18:09:45 20260206-1802-B400_B.14-28 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-13 Group Leigh_D fuelled at 17:59 06/02/2026
29 18:03:26 20260206-1712-B400_B.14-29 11 H1_COSY_Day s52134ad - + - - - + + Ref AJD J78b (c) Group Larrosa_I
29 17:58:16 20260206-1712-B400_B.14-29 10 H1_Day s52134ad + + - + + + + Ref AJD J78b (c) Group Larrosa_I
28 17:51:57 20260206-1712-B400_B.14-28 11 H1_COSY_Day s52134ad - + - - - + + Ref AJD J78a (c) Group Larrosa_I
28 17:47:22 20260206-1712-B400_B.14-28 10 H1_Day s52134ad + + - + + + + Ref AJD J78a (c) Group Larrosa_I
23 17:43:01 20260206-1710-B400_B.14-23 10 H1_Day s52134ad + + - + + + + Ref AJD J73d (w/u, pH 7) Group Larrosa_I
22 17:38:37 20260206-1710-B400_B.14-22 10 H1_Day s52134ad + + - + + + + Ref AJD J77 (w/u, pH 8) Group Larrosa_I
21 17:33:51 20260206-1710-B400_B.14-21 10 H1_Day s52134ad + + - + + + + Ref AJD J77 (w/u, pH 7) Group Larrosa_I
13 17:29:23 20260206-1646-B400_B.14-13 10 H1_Day j83970qc + + - + + + + Ref qc e757 ps et20 Group DeBo_G
12 17:24:57 20260206-1646-B400_B.14-12 10 H1_Day j83970qc + + - + + + + Ref qc e756 ps et20 Group DeBo_G
10 17:20:35 20260206-1646-B400_B.14-10 10 H1_Day j83970qc + + - + + + + Ref qc e755 ps et20 Group DeBo_G
9 17:15:46 20260206-1645-B400_B.14-9 10 H1_Day j83970qc + + - + + + + Ref qc e754 ps et20 Group DeBo_G
7 17:11:13 20260206-1320-B400_B.14-7 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-rerun Group DeBo_G
59 17:06:39 20260203-1644-B400_B.14-59 13 H1_Day v73981ac + + - + + + + Ref ILAC172-isolated Group Larrosa_I
58 17:01:41 20260206-1627-B400_B.14-58 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
57 16:57:04 20260206-1626-B400_B.14-57 10 H1_Day g16660ml + + - + + + + Ref djp-hmpa Group Procter_D
54 16:52:45 20260206-1627-B400_B.14-54 10 H1_Day g16660ml + + - + + + + Ref djp-muze-styrene Group Procter_D
53 16:48:28 20260206-1452-B400_B.14-53 10 H1_Day t91715jk + + - + + + + Ref TP004 50:50 Group Gibson_M TP004 50:50
52 16:44:00 20260206-1410-B400_B.14-52 10 H1_Day t91715jk + + - + + + + Ref TP DMAEA Group Gibson_M TP DMAEA
51 16:39:16 20260206-1413-B400_B.14-51 10 H1_Day g36620hh + + - + + + + Ref HH23.1 Group Mills_D
50 16:35:04 20260206-1357-B400_B.14-50 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-486-cr Group Procter_D
49 16:31:05 20260206-1357-B400_B.14-49 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-485-cr Group Procter_D
48 16:26:53 20260206-1357-B400_B.14-48 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-484-cr Group Procter_D
47 16:24:31 20260206-1535-B400_B.14-47 11 F19_CPD_Day q25190ha - + - - - + + Ref REPW HA023 after cr. Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
47 16:19:14 20260206-1535-B400_B.14-47 10 H1_Day q25190ha + + - + + + + Ref REPW HA023 after cr. Group Winpenny_R
46 16:13:40 20260206-1607-B400_B.14-46 10 H1_Day j40457bh + + - + + + + Ref bh ah 266 c1 s2 Group Trowbridge_A
44 16:08:20 20260206-1606-B400_B.14-44 10 H1_Day j40457bh + + - + + + + Ref bh ah 266 c1 s1 Group Trowbridge_A
43 16:04:05 20260206-1557-B400_B.14-43 10 H1_Day p10102hz + + - + + + + Ref JDR26col Group Procter_D
42 16:01:48 20260206-1329-B400_B.14-42 12 H1_Day q50682hk - + - - - + + Ref ja-jc-c3 Group Willcox_D
42 15:56:18 20260206-1329-B400_B.14-42 11 H1_Day q50682hk + + - + + + + Ref ja-jc-c3 Group Willcox_D
41 15:51:36 20260206-1540-B400_B.14-41 10 H1_Day h91839em + + - + + + + Ref dc-bisnaphtyl-ac-cv-13-20 Group leigh
39 15:41:43 20260206-1521-B400_B.14-39 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC170A-rep 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/20260206-1521-B400_B.14-39/11/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/20260206-1521-B400_B.14-39/11/pdata/1/peaks!
39 15:38:18 20260206-1521-B400_B.14-39 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC170A-rep 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/20260206-1521-B400_B.14-39/10/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/20260206-1521-B400_B.14-39/10/pdata/1/peaks!
38 15:32:43 20260206-1512-B400_B.14-38 10 H1_Day f09303eg + + - + + + + Ref dte28 23 28 Group Webb_S
37 15:27:41 20260206-1509-B400_B.14-37 10 H1_Day j40457bh + + - + + + + Ref bh ah 270 Group Trowbridge_A
36 15:23:23 20260206-1508-B400_B.14-36 10 H1_Day z88883sp + + - + + + + Ref SP403c Group Romanov_A Attempt 2 ppted washed
34 15:20:52 20260206-1457-B400_B.14-34 11 P31_CPD_Day q17816aj - + - - - + + Ref IR-AJ-032(trit) Group Riddell_I sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/q17816aj/nmr/20260206-1457-B400_B.14-34/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Riddell_I/data/q17816aj/nmr/20260206-1457-B400_B.14-34/11/pdata/1/peaks!
34 15:16:21 20260206-1457-B400_B.14-34 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-032(trit) Group Riddell_I
33 15:04:39 20260206-1409-B400_B.14-33 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 271 (crude) Group Procter_D
32 14:52:56 20260206-1409-B400_B.14-32 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 270 (crude) Group Procter_D
30 14:47:56 20260205-1047-B400_B.14-30 15 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-159 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
30 14:43:43 20260205-1047-B400_B.14-30 14 H1_Day d93111sd + + - + + + + Ref IL-SD-159 Group Larrosa_I
29 14:37:07 20260206-1419-B400_B.14-29 10 H1_Day j40457bh + + - + x + + Ref bh ah 270 Group Trowbridge_A lock: Command 'lock CDCl3' failed. Lock is PENDING, topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
28 14:34:32 20260206-1404-B400_B.14-28 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-tpppcl2 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
28 14:29:47 20260206-1404-B400_B.14-28 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-tpppcl2 Group Trowbridge_A
27 14:25:19 20260206-1349-B400_B.14-27 10 H1_Day f09303eg + + - + + + + Ref dte28 23 28 Group Webb_S
26 14:20:37 20260203-1252-B400_B.14-26 16 H1_Day f09303eg + + - + + + + Ref dte28 3940 Group Webb_S
25 14:16:03 20260206-1346-B400_B.14-26 10 H1_Day f09303eg + + - + + + + Ref dte28 tfa Group Webb_S
24 14:11:24 20260206-1346-B400_B.14-24 10 H1_Day f09303eg + + - + + + + Ref dte28 19 22 less clean Group Webb_S
23 14:06:25 20260206-1346-B400_B.14-23 10 H1_Day f09303eg + + - + + + + Ref dte28 anon Group Webb_S
22 14:01:58 20260206-1307-B400_B.14-22 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-130-c Group James_M
21 13:57:32 20260206-1306-B400_B.14-21 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-128-c Group James_M
20 13:53:03 20260206-1345-B400_B.14-20 10 H1_Day f09303eg + + - + + + + Ref dte28 7 15 Group Webb_S
19 13:48:34 20260203-1656-B400_B.14-19 17 H1_Day f09303eg + + - + + + + Ref dte28 2 7 Group Webb_S
18 13:44:11 20260206-1254-B400_B.14-18 10 H1_Day mbdxkrn2 + + - + + + + Ref BG009 - crude 3 Group DeBo_G
17 13:38:42 20260206-1321-B400_B.14-17 10 H1_Quant_NS1_Day s52134ad + + - + + + + Ref AJD J78b (c) Group Larrosa_I
16 13:33:25 20260206-1321-B400_B.14-16 10 H1_Quant_NS1_Day s52134ad + + - + + + + Ref AJD J78a (c) Group Larrosa_I
15 13:27:08 20260206-1313-B400_B.14-15 11 H1_COSY_Day t91715jk - + - - - + + Ref JK126 KXanth pure in chloro Group Gibson_M JK126 KXanth pure in chloro
15 13:22:33 20260206-1313-B400_B.14-15 10 H1_Day t91715jk + + - + x + + Ref JK126 KXanth pure in chloro Group Gibson_M JK126 KXanth pure in chloro topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
14 13:19:57 20260206-1253-B400_B.14-14 10 H1_Day e72206ov - - - - - - - Ref TEA+BIBB Group DeBo_G
13 13:17:41 20260206-1232-B400_B.14-13 12 H1_Day e72206ov - + - - - + + Ref GDB-RP-016-2 Group DeBo_G
13 13:09:22 20260206-1232-B400_B.14-13 11 H1_COSY_Day e72206ov + + - + x + + Ref GDB-RP-016-2 Group DeBo_G topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
38 13:05:20 20260206-1246-B400_B.14-38 10 H1_Day y52364mw + + - + x + + Ref GDB-FS04-rerun Group DeBo_G topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
37 13:01:20 20260206-1244-B400_B.14-37 10 H1_Day k48162ck + + - + x + + Ref PyNHC-HCl Group Romanov_A topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
36 12:57:08 20260206-1241-B400_B.14-36 10 H1_Day m52750pm + + - + x + + Ref GCPM256cr Group Crisenza_G topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
35 12:53:05 20260206-1241-B400_B.14-35 10 H1_Day m52750pm + + - + x + + Ref GCPM257cr Group Crisenza_G topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
34 12:48:57 20260206-1235-B400_B.14-34 10 H1_Day j31752jy + + - + x + + Ref sample 3 Group Gibson_M topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
33 12:44:34 20260206-1235-B400_B.14-33 10 H1_Day j31752jy + + - + x + + Ref sample 2 Group Gibson_M topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
32 12:38:49 20260206-1234-B400_B.14-32 10 H1_Day j31752jy + + - + + + + Ref sample 1 Group Gibson_M lock: Command 'lock CDCl3' failed. Lock is PENDING
31 12:34:22 20260206-0923-B400_B.14-31 13 H1_Night v73981ac + + - + + + + Ref ILAC171C-isolated Group Larrosa_I
12 12:30:02 20260206-1228-B400_B.14-12 10 H1_Day q62112nk + + - + + + + Ref DJP SO84 Group Procter_D
10 12:25:49 20260206-1213-B400_B.14-10 11 H1_WaterSupp_Day h68355ac - + - - - + + Ref djp-oc-1001-ar-is-dmso Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 12:21:46 20260206-1213-B400_B.14-10 10 H1_Day h68355ac + + - + + + + Ref djp-oc-1001-ar-is-dmso Group Procter_D
9 12:16:33 20260206-1212-B400_B.14-9 10 H1_Day b59259yj + + - + + + + Ref MTYJ513Mn Group Turner_M
8 12:11:21 20260206-1204-B400_B.14-8 10 H1_Day j40457bh + + - + + + + Ref bhah271 Group Trowbridge_A
7 12:06:48 20260206-1203-B400_B.14-7 10 H1_Day j40457bh + + - + + + + Ref bhah268 Group Trowbridge_A
4 12:02:16 20260206-1150-B400_B.14-4 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-115 Group James_M
60 11:57:56 20260206-1057-B400_B.14-60 10 H1_Day e02956op + + - + + + + Ref GDB-WK-14 Group DeBo_G
55 11:53:34 20260206-1054-B400_B.14-55 10 H1_Day y52364mw + + - + + + + Ref BG003b) after 48h Group DeBo_G
35 11:49:19 20260206-1130-B400_B.14-35 10 H1_Day b59259yj + + - + + + + Ref MTYJ513_Frtra Group Turner_M
34 11:44:54 20260206-1129-B400_B.14-34 10 H1_Day g23544jd + + - + + + + Ref ED-03-001-01 Group James_M
16 11:40:10 20260206-1049-B400_B.14-16 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-44 Group DeBo_G
15 11:35:30 20260206-1049-B400_B.14-15 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-22 Group DeBo_G
14 11:30:26 20260206-1049-B400_B.14-14 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-9 Group DeBo_G
13 11:25:31 20260206-1119-B400_B.14-13 10 H1_Day e72206ov + + - + + + + Ref ov-011-b crude Group DeBo_G
12 11:22:58 20260206-1114-B400_B.14-12 12 F19_CPD_Day q50682hk - + - - - + + Ref HK-129-8-topband Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
12 11:19:36 20260206-1114-B400_B.14-12 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-129-8-topband Group Willcox_D 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/Willcox_D/data/q50682hk/nmr/20260206-1114-B400_B.14-12/11/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/Willcox_D/data/q50682hk/nmr/20260206-1114-B400_B.14-12/11/pdata/1/peaks!
12 11:15:20 20260206-1114-B400_B.14-12 10 H1_Day q50682hk + + - + + + + Ref HK-129-8-topband Group Willcox_D
11 10:35:47 20260206-1009-B400_B.14-11 11 Si29_DEPT90_Day g36620hh - - - - - - - Ref HH23.0 Group Mills_D
11 10:31:03 20260206-1009-B400_B.14-11 10 H1_Day g36620hh + + - + + + + Ref HH23.0 Group Mills_D
33 10:21:10 20260206-1016-B400_B.14-33 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC6 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/20260206-1016-B400_B.14-33/11/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/20260206-1016-B400_B.14-33/11/pdata/1/peaks!
33 10:17:38 20260206-1016-B400_B.14-33 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC6 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/20260206-1016-B400_B.14-33/10/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/20260206-1016-B400_B.14-33/10/pdata/1/peaks!
32 10:13:07 20260206-1012-B400_B.14-32 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-744-(b)-w.u. Group Greaney_M
31 10:01:14 20260206-0923-B400_B.14-31 12 H1_COSY_HiRes_Night v73981ac - + - - - + + Ref ILAC171C-isolated Group Larrosa_I
31 09:44:23 20260206-0923-B400_B.14-31 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC171C-isolated Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 09:40:11 20260206-0924-B400_B.14-32 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-012-SPR Group DeBo_G
31 09:35:40 20260206-0923-B400_B.14-31 10 H1_Day v73981ac + + - + + + + Ref ILAC171C-isolated Group Larrosa_I
29 09:31:25 20260206-0916-B400_B.14-29 10 H1_Day z86427mk + + - + + + + Ref MK-293-C F21-26 Group Procter_D
28 09:26:18 20260206-0916-B400_B.14-28 10 H1_Day z86427mk + + - + + + + Ref MK-293-C F5-7 Group Procter_D
27 09:21:35 20260206-0911-B400_B.14-27 10 H1_Day x06125gb + + - + + + + Ref GCGB393Pr2 Group Crisenza_G
25 09:17:07 20260206-0910-B400_B.14-25 10 H1_Day x06125gb + + - + + + + Ref GCGB393Pr1 Group Crisenza_G
24 09:12:36 20260206-0905-B400_B.14-24 10 H1_Day q17816aj + + - + + + + Ref IR-AJ-033a Group Riddell_I
23 09:08:24 20260206-0858-B400_B.14-23 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-012-1-B Group DeBo_G
22 09:04:01 20260206-0858-B400_B.14-22 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-012-1A Group DeBo_G
21 09:00:28 20260206-0856-B400_B.14-21 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016-D Pip 10 mg D2O Group James_M
20 08:57:43 20260206-0849-B400_B.14-20 11 F19_CPD_Day mbdxkrn2 - + - - - + + Ref GDB-RN1633 Crude - Acetone-d6 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
20 08:53:27 20260206-0849-B400_B.14-20 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1633 Crude - Acetone-d6 Group DeBo_G
18 08:48:55 20260206-0834-B400_B.14-18 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-17 R1 Group Riddell_I
17 08:44:50 20260206-0834-B400_B.14-17 10 H1_Day x73847lm + + - + + + + Ref L5 ref Group Riddell_I
15 08:40:43 20260206-0833-B400_B.14-15 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-21C.2 Group Riddell_I
14 08:36:44 20260206-0832-B400_B.14-14 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-21B.2 Group Riddell_I
13 08:32:11 20260206-0831-B400_B.14-13 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-21A.2 Group Riddell_I
5 07:53:11 20260206-0738-B400_B.14-5 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD153-iso Group Larrosa_I 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 07:48:42 20260206-0738-B400_B.14-5 10 H1_Day d93111sd + + - + + + + Ref IL-SD153-iso Group Larrosa_I
4 07:43:08 20260206-0737-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137--N Group Larrosa_I 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
4 07:38:31 20260206-0737-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137--N Group Larrosa_I
10 02:19:46 20260205-1929-B400_B.14-10 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 266 (crude) Group Procter_D
53 02:14:32 20260205-1818-B400_B.14-53 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
54 02:08:49 20260205-1818-B400_B.14-54 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
52 02:04:21 20260205-1758-B400_B.14-52 10 H1_Day e72206ov + + - + + + + Ref ov-001-f post col Group DeBo_G
51 01:59:45 20260205-1757-B400_B.14-51 10 H1_Day e72206ov + + - + + + + Ref ov-012-a f1 Group DeBo_G
39 01:43:00 20260205-1701-B400_B.14-39 11 C13_CPD_Night256 p10102hz + + - + + + + Ref zhb-a-138aaa Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 01:24:36 20260205-1630-B400_B.14-12 19 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M
12 01:22:24 20260205-1630-B400_B.14-12 18 H1_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M
12 00:58:47 20260205-1630-B400_B.14-12 17 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M
12 00:46:55 20260205-1630-B400_B.14-12 16 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M
12 00:23:17 20260205-1630-B400_B.14-12 15 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M
12 00:08:51 20260205-1630-B400_B.14-12 14 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 00:02:19 20260205-1630-B400_B.14-12 13 H1_Quant_Wide_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M
12 23:53:22 20260205-1630-B400_B.14-12 12 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 23:46:20 20260205-1630-B400_B.14-12 11 F19_NoCPD_Night a15978el - + - - - + + Ref MJJ-AS-01-022-P Group James_M 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 23:41:42 20260205-1630-B400_B.14-12 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-022-P Group James_M
9 22:11:33 20260205-1442-B400_B.14-9 10 H1_Night128 j83970qc + + - + + + + Ref qc e767 ps Group DeBo_G
8 20:41:06 20260205-1442-B400_B.14-8 10 H1_Night128 j83970qc + + - + + + + Ref qc e766 ps Group DeBo_G
7 19:55:03 20260205-1441-B400_B.14-7 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e755 psp Group DeBo_G 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
6 18:54:08 20260205-1441-B400_B.14-6 10 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc e754 psp Group DeBo_G 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 18:49:24 20260205-1749-B400_B.14-50 10 H1_Day h91839em + + - + + + + Ref GCRBP17A F40-60 Group Crisenza_G
49 18:46:30 20260205-1734-B400_B.14-49 10 P31_CPD_Day z40241jm + + - + - + + Ref DJP-JIM-8-appendix-Ph3P-reference Group Procter_D
48 18:43:26 20260205-1734-B400_B.14-48 10 P31_CPD_Day z40241jm + + - + - + + Ref DJP-JIM-8-appendix-G1-purity Group Procter_D
47 18:41:09 20260205-1330-B400_B.14-47 13 H1_Day q50682hk - + - - - + + Ref cjc-dw-9-1c-oilbath_30oC_2h Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1330-B400_B.14-47/13/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1330-B400_B.14-47/13/pdata/1/peaks!
47 18:38:44 20260205-1330-B400_B.14-47 12 P31_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-1c-oilbath_30oC_2h Group Willcox_D
47 18:34:45 20260205-1330-B400_B.14-47 11 B11_CPD_Day q50682hk + + - + - + + Ref cjc-dw-9-1c-oilbath_30oC_2h Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1330-B400_B.14-47/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1330-B400_B.14-47/11/pdata/1/peaks!
46 18:30:34 20260205-1718-B400_B.14-46 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-016-D Pip 10mg Group James_M
44 18:23:37 20260205-1640-B400_B.14-44 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-131-c Group James_M 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
43 18:16:33 20260205-1640-B400_B.14-43 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-130-c Group James_M 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 18:09:19 20260205-1640-B400_B.14-42 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-129-c Group James_M 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 17:57:21 20260205-1710-B400_B.14-41 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 267 (crude) Group Procter_D
39 17:53:05 20260205-1701-B400_B.14-39 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aaa Group Procter_D
38 17:46:19 20260205-1639-B400_B.14-38 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-128-c Group James_M 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
37 17:39:25 20260205-1639-B400_B.14-37 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-127-c Group James_M 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 17:31:57 20260205-1639-B400_B.14-36 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-124 repeat Group James_M 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 17:27:39 20260205-1625-B400_B.14-35 10 H1_Day j31752jy + + - + + + + Ref sample 3 Group Gibson_M
34 17:23:10 20260205-1625-B400_B.14-34 10 H1_Day j31752jy + + - + + + + Ref sample 2 Group Gibson_M
33 17:18:44 20260205-1638-B400_B.14-33 10 H1_Day c46714th + + - + + + + Ref TH-915-004-P1 Group James_M
32 17:14:24 20260205-1649-B400_B.14-32 11 H1_WaterSupp_Day h68355ac - + - - - + + Ref djp-oc-1001-meod Group Procter_D autophase: Command 'autophase' only possible with locked sample! Current LOCK Status is OFF, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260205-1649-B400_B.14-32/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260205-1649-B400_B.14-32/11/pdata/1/peaks!
32 17:11:07 20260205-1649-B400_B.14-32 10 H1_Day h68355ac + + - + - + + Ref djp-oc-1001-meod Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260205-1649-B400_B.14-32/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260205-1649-B400_B.14-32/10/pdata/1/peaks!
31 17:06:42 20260205-1637-B400_B.14-31 10 H1_Day c46714th + + - + + + + Ref TH-917-004-P1 in DMSO Group James_M
30 17:03:28 20260205-1047-B400_B.14-30 11 P31_CPD_Day q50682hk - - - - - - - Ref cjc-dw-9-1c-oilbath_30oC_2h Group Willcox_D
29 16:53:35 20260205-1609-B400_B.14-29 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC-5C-p2 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/20260205-1609-B400_B.14-29/11/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/20260205-1609-B400_B.14-29/11/pdata/1/peaks!
29 16:50:11 20260205-1609-B400_B.14-29 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC-5C-p2 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/20260205-1609-B400_B.14-29/10/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/20260205-1609-B400_B.14-29/10/pdata/1/peaks!
28 16:40:18 20260205-1609-B400_B.14-28 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC-5A-p2 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/20260205-1609-B400_B.14-28/11/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/20260205-1609-B400_B.14-28/11/pdata/1/peaks!
28 16:36:49 20260205-1609-B400_B.14-28 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC-5A-p2 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/20260205-1609-B400_B.14-28/10/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/20260205-1609-B400_B.14-28/10/pdata/1/peaks!
27 16:32:12 20260205-1606-B400_B.14-27 10 H1_Day s38708sb + + - + + + + Ref SB05_FR1 Group Gardiner_J
33 16:27:53 20260205-1624-B400_B.14-33 10 H1_Day j31752jy + + - + + + + Ref sample 1 Group Gibson_M
25 16:22:33 20260205-1605-B400_B.14-25 10 H1_Quant_NS1_Day z86427mk + + - + + + + Ref MK-293-C Group Procter_D
24 16:17:31 20260205-1600-B400_B.14-24 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-135_n Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24 16:13:27 20260205-1600-B400_B.14-24 10 H1_Day d93111sd + + - + + + + Ref IL-SD-135_n Group Larrosa_I
23 16:09:16 20260205-1546-B400_B.14-23 10 H1_Day h91839em + + - + + + + Ref GCRBP18 Group Crisenza_G
22 16:04:52 20260205-1546-B400_B.14-22 10 H1_Day h91839em + + - + + + + Ref GCRBP16B Group Crisenza_G
21 16:00:07 20260205-1545-B400_B.14-21 10 H1_Day h91839em + + - + + + + Ref GCRBP16AF30 Group Crisenza_G
20 15:55:13 20260205-1540-B400_B.14-20 10 H1_Quant_NS1_Day z86427mk + + - + + + + Ref MK-293-B Group Procter_D
19 15:49:56 20260203-1656-B400_B.14-19 16 H1_Quant_NS1_Day z86427mk + + - + + + + Ref MK-293-A Group Procter_D
18 15:46:58 20260205-1525-B400_B.14-18 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA013 with Aniline 1 to 2 Group Winpenny_R
17 15:43:59 20260205-1524-B400_B.14-17 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA013 with Aniline 1 to 1 Group Winpenny_R
16 15:41:20 20260205-1525-B400_B.14-16 11 F19_CPD_Day q25190ha - + - - - + + Ref REPW HA025 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
16 15:36:58 20260205-1525-B400_B.14-16 10 H1_Day q25190ha + + - + + + + Ref REPW HA025 Group Winpenny_R
4 15:20:04 20260205-1246-B400_B.14-4 11 C13_CPD_Night256 f56027ch + + - + + + + Ref ben kun_3N_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:15:31 20260205-1450-B400_B.14-10 10 H1_Day e72206ov + + - + + + + Ref GDB-RP-016-1 Group DeBo_G
5 15:12:45 20260205-1439-B400_B.14-5 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-15 rp 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
5 15:07:37 20260205-1439-B400_B.14-5 10 H1_Day c62220rg + + - + + + + Ref nk 1-15 rp Group Trowbridge_A
60 15:03:07 20260205-1414-B400_B.14-60 10 H1_Day x06125gb + + - + + + + Ref GCEC melonal alkyne Group Crisenza_G
58 15:00:08 20260205-1335-B400_B.14-58 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA013 Group Winpenny_R
57 14:48:39 20260205-1410-B400_B.14-57 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 269 (crude) Group Procter_D
56 14:36:53 20260205-1410-B400_B.14-56 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 268 (crude) Group Procter_D
55 14:25:12 20260205-1409-B400_B.14-55 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 265 (crude) Group Procter_D
54 14:20:57 20260205-1355-B400_B.14-54 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-27 Group DeBo_G
53 14:16:11 20260205-1355-B400_B.14-53 10 H1_Day y52364mw + + - + + + + Ref GDB-FS004-2-16 Group DeBo_G
52 14:11:44 20260205-1353-B400_B.14-52 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref ED-03-006-x Group James_M
51 14:07:12 20260205-1350-B400_B.14-51 10 H1_Day h91839em + + - + + + + Ref GCRBP17AC Group Crisenza_G
50 14:02:17 20260205-1350-B400_B.14-50 10 H1_Day h91839em + + - + + + + Ref gc em 250 c Group Crisenza_G
49 13:58:03 20260205-1341-B400_B.14-49 10 H1_Day v73981ac + + - + + + + Ref ILAC172-crude Group Larrosa_I
48 13:53:23 20260205-1340-B400_B.14-48 10 H1_Day s52134ad + + - + + + + Ref AJD J72b (f 42-52) Group Larrosa_I
47 13:50:22 20260205-1330-B400_B.14-47 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA013 1 to 2 Group Winpenny_R
46 13:47:07 20260205-1329-B400_B.14-46 10 F19_CPD_Day q25190ha + + - + - + + Ref REPW HA013 1 to 1 Group Winpenny_R
44 13:42:05 20260205-1333-B400_B.14-44 10 H1_Day f09303eg + + - + + + + Ref EG29 prevac Group Webb_S
43 13:38:06 20260205-1324-B400_B.14-43 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-483-cr Group Procter_D
42 13:34:10 20260205-1324-B400_B.14-42 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-482-cr Group Procter_D
41 13:29:54 20260205-1324-B400_B.14-41 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-481-cr Group Procter_D
4 13:25:13 20260205-1246-B400_B.14-4 10 H1_Day f56027ch + + - + + + + Ref ben kun_3N_H Group Schroder_M
38 13:20:44 20260205-1311-B400_B.14-38 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-3-30 Group Procter_D
37 13:16:10 20260205-1310-B400_B.14-37 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-3-28 Group Procter_D
36 13:11:51 20260205-1310-B400_B.14-36 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-3-1,9 Group Procter_D
35 13:07:33 20260205-1255-B400_B.14-35 10 H1_Day m52750pm + + - + + + + Ref GCPM255cr Group Crisenza_G
34 13:03:03 20260205-1255-B400_B.14-34 10 H1_Day m52750pm + + - + + + + Ref GCPM254Bcr Group Crisenza_G
33 12:58:21 20260205-1255-B400_B.14-33 10 H1_Day m52750pm + + - + + + + Ref GCPM254Acr Group Crisenza_G
32 12:47:27 20260204-1737-B400_B.14-32 15 C13_DEPT135_Night a15978el + + - + + + + Ref MJJ EL-04-116 f19-32 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 12:42:44 20260205-1234-B400_B.14-38 10 H1_Day v73981ac + + - + + + + Ref ILAC171C-Rx Group Larrosa_I
37 12:38:13 20260205-1234-B400_B.14-37 10 H1_Day v73981ac + + - + + + + Ref ILAC171C-SM Group Larrosa_I
36 12:35:51 20260205-1120-B400_B.14-36 13 P31_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-01-s.m.-precomplex Group Willcox_D
36 12:32:02 20260205-1120-B400_B.14-36 12 B11_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-01-s.m.-precomplex Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1120-B400_B.14-36/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1120-B400_B.14-36/12/pdata/1/peaks!
36 12:28:55 20260205-1120-B400_B.14-36 11 H1_Day q50682hk + + - + - + + Ref cjc-dw-9-01-s.m.-precomplex Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1120-B400_B.14-36/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260205-1120-B400_B.14-36/11/pdata/1/peaks!
35 12:23:20 20260205-1106-B400_B.14-35 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-148-2 Group Larrosa_I 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 12:18:39 20260205-1106-B400_B.14-35 11 H1_Day d93111sd + + - + + + + Ref IL-SD-148-2 Group Larrosa_I
34 12:14:09 20260205-1155-B400_B.14-34 10 H1_Day d93111sd + + - + + + + Ref IL-SD-nap Group Larrosa_I
33 12:09:02 20260205-1156-B400_B.14-33 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-158 Group Larrosa_I 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
33 12:04:48 20260205-1156-B400_B.14-33 10 H1_Day d93111sd + + - + + + + Ref IL-SD-158 Group Larrosa_I
32 11:47:12 20260204-1737-B400_B.14-32 14 C13_CPD_Night256 a15978el + + - + + + + Ref MJJ EL-04-116 f19-32 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38 11:42:57 20260205-1120-B400_B.14-38 30 H1_Day t91715jk + + - + + + + Ref JK125 DP10 xanth linear in chloro Group Gibson_M JK125 DP10 xanth linear in chloro
37 11:38:27 20260205-1120-B400_B.14-37 20 H1_Day t91715jk + + - + + + + Ref JK125 DP25 xanth linear in chloro Group Gibson_M JK125 DP25 xanth linear in chloro
36 11:33:53 20260205-1120-B400_B.14-36 10 H1_Day t91715jk + + - + + + + Ref JK125 DP50 xanth linear in chloro Group Gibson_M JK125 DP50 xanth linear in chloro
32 11:19:44 20260204-1737-B400_B.14-32 13 H1_COSY_HiRes_Night a15978el + + - + + + + Ref MJJ EL-04-116 f19-32 Group James_M
35 11:15:12 20260205-1106-B400_B.14-35 10 H1_Day m19368jb + + - + + + + Ref AK-JB18C1 Group Keerthi_A Juliet Barclay JB-18C1 CDCl3
34 11:10:24 20260205-1105-B400_B.14-34 10 H1_Day m19368jb + + - + + + + Ref AK-JB-20C Group Keerthi_A Juliet Barclay JB-20C CDCl3
32 11:05:40 20260204-1737-B400_B.14-32 12 H1_Night a15978el + + - + + + + Ref MJJ EL-04-116 f19-32 Group James_M
33 11:03:10 20260204-1747-B400_B.14-33 18 P31_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-01b-another24h Group Willcox_D
33 10:59:39 20260204-1747-B400_B.14-33 17 B11_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-01b-another24h Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1747-B400_B.14-33/17/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1747-B400_B.14-33/17/pdata/1/peaks!
33 10:56:21 20260204-1747-B400_B.14-33 16 H1_Day q50682hk + + - + - + + Ref cjc-dw-9-01b-another24h Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1747-B400_B.14-33/16/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1747-B400_B.14-33/16/pdata/1/peaks!
30 10:51:34 20260205-1047-B400_B.14-30 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-isoproxoyisolated Group Procter_D
29 10:49:25 20260205-1040-B400_B.14-29 11 F19_NoCPD_Day m52750pm - + - - - + + Ref GC_MP010 Group Crisenza_G 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 10:44:54 20260205-1040-B400_B.14-29 10 H1_Day m52750pm + + - + + + + Ref GC_MP010 Group Crisenza_G
27 10:39:45 20260205-1015-B400_B.14-27 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-155-after Group Larrosa_I
26 10:34:44 20260203-1252-B400_B.14-26 16 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-154-after Group Larrosa_I
25 10:30:28 20260205-1003-B400_B.14-25 10 H1_Day c46714th + + - + + + + Ref TH-917-003-P2 Group James_M
24 10:25:58 20260205-1002-B400_B.14-24 10 H1_Day c46714th + + - + + + + Ref TH-917-002-P1 Group James_M
23 10:20:39 20260205-1002-B400_B.14-23 10 H1_Day c46714th + + - + + + + Ref TH-915-002-P1 Group James_M
22 10:15:38 20260205-0933-B400_B.14-22 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-24f Group Trowbridge_A
21 10:13:27 20260205-0933-B400_B.14-21 11 H1_Day c62220rg - + - - - + + Ref at-rg-6-24e Group Trowbridge_A
21 10:08:58 20260205-0933-B400_B.14-21 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-24e Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0933-B400_B.14-21/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0933-B400_B.14-21/10/pdata/1/peaks!
20 10:06:46 20260205-0932-B400_B.14-20 11 H1_Day c62220rg - + - - - + + Ref at-rg-6-24d Group Trowbridge_A
20 10:01:48 20260205-0932-B400_B.14-20 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-24d Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0932-B400_B.14-20/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0932-B400_B.14-20/10/pdata/1/peaks!
14 09:57:48 20260205-0931-B400_B.14-14 10 F19_NoCPD_Day c62220rg + + - + + + + Ref at-rg-6-24c Group Trowbridge_A sref: NUCLEUS '19F' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'Tol' SR is set to 0.0
13 09:55:50 20260205-0931-B400_B.14-13 11 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-24b Group Trowbridge_A sref: NUCLEUS '19F' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'Tol' SR is set to 0.0
13 09:51:29 20260205-0931-B400_B.14-13 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-24b Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0931-B400_B.14-13/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0931-B400_B.14-13/10/pdata/1/peaks!
12 09:49:31 20260205-0931-B400_B.14-12 11 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-24a Group Trowbridge_A sref: NUCLEUS '19F' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'Tol' SR is set to 0.0
12 09:44:58 20260205-0931-B400_B.14-12 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-24a Group Trowbridge_A sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0931-B400_B.14-12/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260205-0931-B400_B.14-12/10/pdata/1/peaks!
11 09:43:20 20260205-0919-B400_B.14-11 11 H1_Quant_NS1_Day g23544jd - + - - - + + Ref MJJ-JDL-06-015-D Pip Group James_M
11 09:39:12 20260205-0919-B400_B.14-11 10 H1_Day g23544jd + + - + + + + Ref MJJ-JDL-06-015-D Pip Group James_M
10 09:35:09 20260205-0913-B400_B.14-10 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SAC Group Riddell_I
9 09:31:07 20260205-0913-B400_B.14-9 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SNC Group Riddell_I
8 09:26:46 20260205-0913-B400_B.14-8 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SPC Group Riddell_I
7 09:22:04 20260205-0911-B400_B.14-7 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-25 6h Group Trowbridge_A
6 09:17:20 20260205-0911-B400_B.14-6 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-25 5h Group Trowbridge_A
5 09:12:23 20260205-0911-B400_B.14-5 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-25 4h Group Trowbridge_A
11 08:27:55 20260205-0807-B400_B.14-11 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-157 Group Larrosa_I 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 08:23:14 20260205-0807-B400_B.14-11 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-157 Group Larrosa_I
7 08:18:11 20260205-0806-B400_B.14-7 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-156 Group Larrosa_I 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 08:14:11 20260205-0806-B400_B.14-7 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-156 Group Larrosa_I
6 08:09:55 20260205-0805-B400_B.14-6 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-155 Group Larrosa_I
5 08:05:05 20260205-0803-B400_B.14-5 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-154 Group Larrosa_I
22 07:12:00 20260204-1902-B400_B.14-22 12 C13_CPD_Night256 b26045ab - + - - - + + Ref AT-ABO-02-701-2-F13-16 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 07:09:49 20260204-1902-B400_B.14-22 11 H1_Night b26045ab - + - - - + + Ref AT-ABO-02-701-2-F13-16 Group Trowbridge_A
22 07:04:41 20260204-1902-B400_B.14-22 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-701-2-F13-16 Group Trowbridge_A
37 07:00:11 20260204-1756-B400_B.14-37 10 H1_Day f85241bm + + - + + + + Ref BM1097-5 Group Bures_J
36 06:52:28 20260204-1751-B400_B.14-36 10 F19_Quant_D1_8s_Day w81612cw + + - + + + + Ref IL-AMN-05-129-CRM Group Mehta_M 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 06:28:51 20260204-1747-B400_B.14-33 15 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M
33 06:10:27 20260204-1747-B400_B.14-33 14 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M
33 06:02:00 20260204-1747-B400_B.14-33 13 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 04:43:25 20260204-1747-B400_B.14-33 12 H1_COSY_NS32_Night a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M
33 04:28:59 20260204-1747-B400_B.14-33 11 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-115 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 04:24:27 20260204-1747-B400_B.14-33 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-115 Group James_M
30 04:16:11 20260204-1702-B400_B.14-30 10 H1_Quant_Night v61651mp + + - + + + + Ref FR2-F2 Group Shaver_M
29 04:08:09 20260204-1701-B400_B.14-29 10 H1_Quant_Night v61651mp + + - + + + + Ref FR2-E2 Group Shaver_M
27 03:59:52 20260204-1659-B400_B.14-27 10 H1_Quant_Night v61651mp + + - + + + + Ref FR2-D2 Group Shaver_M
21 03:51:43 20260204-1658-B400_B.14-21 10 H1_Quant_Night v61651mp + + - + + + + Ref FR2-C2 Group Shaver_M
20 03:43:27 20260204-1657-B400_B.14-20 10 H1_Quant_Night v61651mp + + - + + + + Ref FR2-B2 Group Shaver_M
9 03:29:21 20260204-1638-B400_B.14-9 10 H1_Night128 j83970qc + + - + + + + Ref qc e754 ps Group DeBo_G
14 03:14:59 20260204-1639-B400_B.14-14 10 H1_Night128 j83970qc + + - + + + + Ref qc e755 ps Group DeBo_G
47 02:58:04 20260204-1518-B400_B.14-47 11 C13_CPD_Night256 u67812sg + + - + + + + Ref sq-2-1-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 02:41:47 20260204-1455-B400_B.14-53 13 C13_DEPTQ_Night v73981ac - + - - - + + Ref AF-244 Group Larrosa_I pp: Unable to assign a peak for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260204-1455-B400_B.14-53/13/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20260204-1455-B400_B.14-53/13/pdata/1/peaks No peak is found in the specified ranges!
53 02:25:17 20260204-1455-B400_B.14-53 12 B11_CPD_Night v73981ac + + - + + + + Ref AF-244 Group Larrosa_I 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/Larrosa_I/data/v73981ac/nmr/20260204-1455-B400_B.14-53/12/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/Larrosa_I/data/v73981ac/nmr/20260204-1455-B400_B.14-53/12/pdata/1/peaks!
13 02:07:43 20260204-1410-B400_B.14-13 16 H1_TOCSY_US_Night z40241jm - + - - - + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D
13 01:22:22 20260204-1410-B400_B.14-13 15 H1_NOESY_US_Night z40241jm - + - - - + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D
13 01:03:58 20260204-1410-B400_B.14-13 14 H1_C13_HMBC_US_Night z40241jm - + - - - + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D
13 00:51:37 20260204-1410-B400_B.14-13 13 H1_C13_HSQC_US_Night z40241jm - + - - - + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D
13 00:37:30 20260204-1410-B400_B.14-13 12 H1_COSY_HiRes_Night z40241jm + + - + + + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D
60 00:25:10 20260204-1326-B400_B.14-60 12 H1_C13_HSQC_US_Night z40241jm - + - - - + + Ref DJP-JIM-7-154-fullchar Group Procter_D
60 00:06:33 20260204-1326-B400_B.14-60 11 H1_C13_HMBC_US_Night z40241jm - + - - - + + Ref DJP-JIM-7-154-fullchar Group Procter_D
60 00:01:35 20260204-1326-B400_B.14-60 10 H1_Night z40241jm + + - + + + + Ref DJP-JIM-7-154-fullchar Group Procter_D
24 23:49:16 20260203-1734-B400_B.14-24 12 H1_C13_HSQC_US_Night h91839em - + - - - + + Ref gc em 170 Group Crisenza_G
24 23:34:31 20260203-1734-B400_B.14-24 11 C13_CPD_Night256 h91839em - + - - - + + Ref gc em 170 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 23:29:33 20260203-1734-B400_B.14-24 10 H1_Night h91839em + + - + + + + Ref gc em 170 Group Crisenza_G
10 22:43:11 20260203-1706-B400_B.14-10 11 F19_CPD_Night_1024 j83970qc + + - + + + + Ref qc 612-1p Group DeBo_G 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
12 21:12:49 20260203-1707-B400_B.14-12 10 H1_Night128 j83970qc + + - + + + + Ref qc rn1624 p md3cn Group DeBo_G
11 19:42:09 20260203-1708-B400_B.14-11 11 H1_Night128 j83970qc + + - + + + + Ref qc-612-1p md3cn Group DeBo_G
19 19:14:42 20260203-1656-B400_B.14-19 14 Si29_DEPT90_Night m69065je - - - - - - - Ref JEK6024_nocap Group Mills_D JEK6024_nocap
19 19:11:19 20260203-1656-B400_B.14-19 10 H1_Night m69065je + + - + - + + Ref JEK6024_nocap Group Mills_D JEK6024_nocap pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-1656-B400_B.14-19/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-1656-B400_B.14-19/10/pdata/1/peaks!
18 19:09:37 20260203-1655-B400_B.14-18 13 H1_B11CPD_Night m69065je - + - - - + + Ref JEK591_alt Group Mills_D JEK591_alt
18 19:08:18 20260203-1655-B400_B.14-18 12 B11_NoCPD_Day m69065je - + - - - + + Ref JEK591_alt Group Mills_D JEK591_alt log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260203-1655-B400_B.14-18/12/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/20260203-1655-B400_B.14-18/12/pdata/1/peaks!
18 19:04:55 20260203-1655-B400_B.14-18 11 B11_CPD_Day m69065je - + - - - + + Ref JEK591_alt Group Mills_D JEK591_alt 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/20260203-1655-B400_B.14-18/11/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/Mills_D/data/m69065je/nmr/20260203-1655-B400_B.14-18/11/pdata/1/peaks!
18 19:00:58 20260203-1655-B400_B.14-18 10 H1_Day m69065je + + - + + + + Ref JEK591_alt Group Mills_D JEK591_alt
17 18:56:43 20260203-1654-B400_B.14-17 10 H1_Day m69065je + + - + + + + Ref JEK583_strg Group Mills_D JEK583_strg
35 18:49:45 20260204-1750-B400_B.14-35 10 F19_Quant_D1_8s_Day w81612cw + + - + + + + Ref IL-AMN-05-128-CRM Group Mehta_M 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 18:45:02 20260204-1732-B400_B.14-34 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref ED-03-005-x Group James_M
32 18:43:04 20260204-1737-B400_B.14-32 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-116 f19-32 Group James_M 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 18:38:02 20260204-1737-B400_B.14-32 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-116 f19-32 Group James_M
31 18:28:10 20260204-1720-B400_B.14-31 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC171C-p2 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/20260204-1720-B400_B.14-31/11/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/20260204-1720-B400_B.14-31/11/pdata/1/peaks!
31 18:24:35 20260204-1720-B400_B.14-31 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC171C-p2 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/20260204-1720-B400_B.14-31/10/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/20260204-1720-B400_B.14-31/10/pdata/1/peaks!
30 18:20:16 20260204-1702-B400_B.14-30 11 P31_CPD_Day v61651mp + + - + + + + Ref FR2-F2 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
29 18:15:02 20260204-1701-B400_B.14-29 11 P31_CPD_Day v61651mp + + - + + + + Ref FR2-E2 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
28 18:12:28 20260204-1605-B400_B.14-28 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-12 rrp 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
28 18:07:22 20260204-1605-B400_B.14-28 10 H1_Day c62220rg + + - + + + + Ref nk 1-12 rrp Group Trowbridge_A
27 18:03:12 20260204-1659-B400_B.14-27 11 P31_CPD_Day v61651mp + + - + + + + Ref FR2-D2 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
25 17:58:23 20260204-1728-B400_B.14-25 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-85--p Group Larrosa_I 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 17:53:50 20260204-1728-B400_B.14-25 10 H1_Day d93111sd + + - + + + + Ref IL-SD-85--p Group Larrosa_I
23 17:48:11 20260204-1727-B400_B.14-23 10 H1_Day d93111sd + + - + + + + Ref IL-SD-148 Group Larrosa_I
22 17:42:59 20260204-1723-B400_B.14-22 10 H1_Day h68355ac + + - + + + + Ref djp-oc-997-is Group Procter_D
16 17:31:29 20260204-1655-B400_B.14-16 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-A2 Group Shaver_M
15 17:26:44 20260204-1647-B400_B.14-15 10 H1_Day b37463mo + + - + + + + Ref CS_CO2TMPTGE_1 Group Shaver_M CO2 cycloaddition to TMPTGE analysis in CDCl3
8 17:22:17 20260204-1628-B400_B.14-8 10 H1_Day z88883sp + + - + + + + Ref SP403b Group Romanov_A PPted, washed pentane
7 17:17:49 20260204-1555-B400_B.14-7 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-trimethboroxisolated Group Procter_D
6 17:13:21 20260204-1549-B400_B.14-6 10 H1_Day m19368jb + + - + + + + Ref AK-JB17-33 Group Keerthi_A Juliet Barclay AK-JB17-33 CDCl3
5 17:08:30 20260204-1549-B400_B.14-5 10 H1_Day m19368jb + + - + + + + Ref AK-JB17-19 Group Keerthi_A Juliet Barclay AK-JB17-19 CDCl3
59 17:03:43 20260203-1644-B400_B.14-59 13 H1_Day z86427mk + + - + + + + Ref MK-290-C C2 Group Procter_D
58 16:59:13 20260204-1548-B400_B.14-58 10 H1_Day m19368jb + + - + + + + Ref AK-JB17-3 Group Keerthi_A Juliet Barclay AK-JB17-3 CDCl3
57 16:55:00 20260204-1542-B400_B.14-57 10 H1_Quant_NS1_Day v73981ac + + - + + + + Ref IL-AMN-Reference Sample - 4-Iodo Anisole Group Larrosa_I
56 16:50:24 20260204-1540-B400_B.14-56 10 H1_Quant_NS1_Day v73981ac + + - + + + + Ref IL-AMN-05-127-CRM Group Larrosa_I
55 16:45:58 20260204-1539-B400_B.14-55 10 H1_Quant_NS1_Day v73981ac + + - + + + + Ref IL-AMN-05-126-CRM Group Larrosa_I
54 16:43:09 20260204-1525-B400_B.14-54 12 F19_CPD_Day q50682hk - + - - - + + Ref HK-129-104-dark Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
54 16:39:47 20260204-1525-B400_B.14-54 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-129-104-dark Group Willcox_D 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/Willcox_D/data/q50682hk/nmr/20260204-1525-B400_B.14-54/11/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/Willcox_D/data/q50682hk/nmr/20260204-1525-B400_B.14-54/11/pdata/1/peaks!
54 16:35:20 20260204-1525-B400_B.14-54 10 H1_Day q50682hk + + - + + + + Ref HK-129-104-dark Group Willcox_D
53 16:32:01 20260204-1455-B400_B.14-53 11 F19_CPD_Day v73981ac - + - - - + + Ref AF-244 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
53 16:27:55 20260204-1455-B400_B.14-53 10 H1_Day v73981ac + + - + + + + Ref AF-244 Group Larrosa_I
52 16:23:28 20260204-1454-B400_B.14-52 10 H1_Day p10102hz + + - + + + + Ref JDR23 Group Procter_D
51 16:19:14 20260204-1454-B400_B.14-51 10 H1_Day p10102hz + + - + + + + Ref JDR22 Group Procter_D
50 16:17:03 20260204-1452-B400_B.14-50 11 P31_CPD_Day v61651mp - + - - - + + Ref FR2-F3 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
50 16:06:02 20260204-1452-B400_B.14-50 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-F3 Group Shaver_M
49 16:03:54 20260204-1450-B400_B.14-49 11 P31_CPD_Day v61651mp - + - - - + + Ref FR2-E1 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
49 15:52:42 20260204-1450-B400_B.14-49 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-E1 Group Shaver_M
48 15:50:18 20260204-1449-B400_B.14-48 11 P31_CPD_Day v61651mp - + - - - + + Ref FR2-D1 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
48 15:38:55 20260204-1449-B400_B.14-48 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-D1 Group Shaver_M
47 15:34:39 20260204-1518-B400_B.14-47 10 H1_Day u67812sg + + - + + + + Ref sq-2-1-1 Group Procter_D
46 15:30:22 20260204-1517-B400_B.14-46 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-3tempo Group Procter_D
44 15:19:23 20260204-1448-B400_B.14-44 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-C1 Group Shaver_M
43 15:07:52 20260204-1447-B400_B.14-43 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-B1 Group Shaver_M
42 14:56:30 20260204-1446-B400_B.14-42 10 H1_Quant_D1_25s_Day v61651mp + + - + + + + Ref FR2-A1 Group Shaver_M
41 14:51:45 20260204-1440-B400_B.14-41 10 H1_Day m52750pm + + - + + + + Ref GCPM253cr Group Crisenza_G
39 14:46:44 20260204-1438-B400_B.14-39 10 H1_Day z16689fe + + - + + + + Ref DJP FE 264 Group Procter_D
38 14:43:27 20260204-1426-B400_B.14-38 11 P31_Wide_Day c62220rg - + - - - + + Ref nk 1-14 p1 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
38 14:37:59 20260204-1426-B400_B.14-38 10 H1_Day c62220rg + + - + + + + Ref nk 1-14 p1 Group Trowbridge_A
14 14:33:28 20260204-1429-B400_B.14-14 10 H1_Day u67812sg + + - + + + + Ref sq-2-1-1 Group Procter_D
13 14:18:56 20260204-1410-B400_B.14-13 11 C13_CPD_Night256 z40241jm - + - - - + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 14:13:42 20260204-1410-B400_B.14-13 10 H1_Night z40241jm + + - + + + + Ref DJP-JIM-8-kineticsproduct-fullchar Group Procter_D
8 13:56:41 20260203-1705-B400_B.14-8 11 C13_CPD_Night256 c54994yc + + - + + + + Ref PCN-222 linker Group Sihai_Y sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 13:52:43 20260204-1345-B400_B.14-14 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-480-cr Group Procter_D
13 13:48:15 20260204-1345-B400_B.14-13 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-479-cr Group Procter_D
7 13:43:57 20260204-1330-B400_B.14-7 10 H1_Day t91715jk + + - + + + + Ref JK125 DP10 tf in chloro Group Gibson_M JK125 DP10 tf in chloro
6 13:39:12 20260204-1330-B400_B.14-6 10 H1_Day t91715jk + + - + + + + Ref JK125 DP25 tf in chloro Group Gibson_M JK125 DP25 tf in chloro
5 13:34:37 20260204-1330-B400_B.14-5 10 H1_Day t91715jk + + - + + + + Ref JK125 DP50 tf in chloro Group Gibson_M JK125 DP50 tf in chloro
58 13:29:14 20260204-1321-B400_B.14-58 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-3 Group Procter_D
57 13:24:30 20260204-1320-B400_B.14-57 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-3p Group Procter_D
56 13:20:12 20260204-1302-B400_B.14-56 10 H1_Day k48162ck + + - + + + + Ref pynhc-precursor2 Group Romanov_A
55 13:15:26 20260204-1245-B400_B.14-55 10 H1_Day j40457bh + + - + + + + Ref bh ah 229 mixed Group Trowbridge_A
54 13:10:57 20260204-1253-B400_B.14-54 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-20 Group Riddell_I
53 13:06:12 20260204-1250-B400_B.14-53 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-014-1.5 h Group DeBo_G
52 13:01:28 20260204-1249-B400_B.14-52 10 H1_Day z88883sp + + - + + + + Ref SP406a Group Romanov_A Hexane extraction
51 12:56:59 20260204-1245-B400_B.14-51 10 H1_Day j40457bh + + - + + + + Ref bh ah 262 Group Trowbridge_A
50 12:52:43 20260204-1245-B400_B.14-50 10 H1_Day j40457bh + + - + + + + Ref bh ah 266 Group Trowbridge_A
49 12:48:28 20260204-1244-B400_B.14-49 10 H1_Day j40457bh + + - + + + + Ref bh ah 264 Group Trowbridge_A
48 12:43:59 20260204-1217-B400_B.14-48 10 H1_Day m52750pm + + - + + + + Ref GC_MP_terpinene Group Crisenza_G
47 12:39:29 20260204-1216-B400_B.14-47 10 H1_Day m52750pm + + - + + + + Ref GC_MP_photocat Group Crisenza_G
46 12:34:46 20260204-1216-B400_B.14-46 10 H1_Day m52750pm + + - + + + + Ref GC_MP_acrilonitrile Group Crisenza_G
44 12:30:15 20260204-1151-B400_B.14-44 10 H1_Day m52750pm + + - + + + + Ref GC_MP012_crude+i.s. Group Crisenza_G
43 12:25:17 20260204-1150-B400_B.14-43 10 H1_Day m52750pm + + - + + + + Ref GC_MP010_check1 Group Crisenza_G
42 12:15:24 20260204-0959-B400_B.14-42 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC171C 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/20260204-0959-B400_B.14-42/11/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/20260204-0959-B400_B.14-42/11/pdata/1/peaks!
42 12:12:00 20260204-0959-B400_B.14-42 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC171C 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/20260204-0959-B400_B.14-42/10/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/20260204-0959-B400_B.14-42/10/pdata/1/peaks!
41 12:02:07 20260204-0959-B400_B.14-41 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC-5D 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/20260204-0959-B400_B.14-41/11/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/20260204-0959-B400_B.14-41/11/pdata/1/peaks!
41 11:58:37 20260204-0959-B400_B.14-41 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC-5D 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/20260204-0959-B400_B.14-41/10/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/20260204-0959-B400_B.14-41/10/pdata/1/peaks!
37 11:51:02 20260204-1143-B400_B.14-37 10 H1_WaterSupp_Day h68355ac + + - + + + + Ref djp-oc-924-dmso-b Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 11:41:09 20260204-0957-B400_B.14-36 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC-5C 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/20260204-0957-B400_B.14-36/11/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/20260204-0957-B400_B.14-36/11/pdata/1/peaks!
36 11:37:45 20260204-0957-B400_B.14-36 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC-5C 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/20260204-0957-B400_B.14-36/10/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/20260204-0957-B400_B.14-36/10/pdata/1/peaks!
35 11:27:52 20260204-0957-B400_B.14-35 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC-5B 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/20260204-0957-B400_B.14-35/11/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/20260204-0957-B400_B.14-35/11/pdata/1/peaks!
35 11:24:27 20260204-0957-B400_B.14-35 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC-5B 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/20260204-0957-B400_B.14-35/10/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/20260204-0957-B400_B.14-35/10/pdata/1/peaks!
34 11:14:35 20260204-0957-B400_B.14-34 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref LC-5A 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/20260204-0957-B400_B.14-34/11/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/20260204-0957-B400_B.14-34/11/pdata/1/peaks!
34 11:10:57 20260204-0957-B400_B.14-34 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref LC-5A 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/20260204-0957-B400_B.14-34/10/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/20260204-0957-B400_B.14-34/10/pdata/1/peaks!
32 11:06:37 20260203-2312-B400_B.14-32 10 H1_Day a74776dr + + - + + + + Ref 2ph zk ea Group Procter_D
31 11:02:16 20260203-2312-B400_B.14-31 10 H1_Day a74776dr + + - + + + + Ref 2ph zk thf Group Procter_D
30 10:57:26 20260203-2312-B400_B.14-30 10 H1_Day a74776dr + + - + + + + Ref free py zi Group Procter_D
25 10:55:10 20260204-1045-B400_B.14-25 12 H1_Day q50682hk - + - - - + + Ref cjc-dw-9-01-stephanmethod-Ru_B-Cl Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1045-B400_B.14-25/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1045-B400_B.14-25/12/pdata/1/peaks!
25 10:51:48 20260204-1045-B400_B.14-25 11 B11_CPD_Day q50682hk - + - - - + + Ref cjc-dw-9-01-stephanmethod-Ru_B-Cl Group Willcox_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1045-B400_B.14-25/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260204-1045-B400_B.14-25/11/pdata/1/peaks!
25 10:48:06 20260204-1045-B400_B.14-25 10 P31_CPD_Day q50682hk + + - + - + + Ref cjc-dw-9-01-stephanmethod-Ru_B-Cl Group Willcox_D
20 10:43:59 20260204-1027-B400_B.14-20 10 H1_Day h68355ac + + - + + + + Ref djp-oc-924-ac-dmso Group Procter_D
16 10:38:52 20260204-1022-B400_B.14-16 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aav Group Procter_D
15 10:33:50 20260204-1022-B400_B.14-15 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-8 Group Procter_D
14 10:26:40 20260203-1856-B400_B.14-14 10 F19_Quant_D1_8s_Day v73981ac + + - + + + + Ref IL-AMN-05-125-CRM Group Larrosa_I 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 10:14:36 20260203-1856-B400_B.14-13 10 F19_Quant_D1_8s_Day v73981ac + + - + + + + Ref IL-AMN-05-124-CRM Group Larrosa_I 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 10:10:27 20260203-1705-B400_B.14-8 10 H1_Day c54994yc + + - + + + + Ref PCN-222 linker Group Sihai_Y
4 10:07:25 20260203-1649-B400_B.14-4 10 H1_Day z40973rs + + - x - - - Ref gdb-rs-179 Group DeBo_G Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is PENDING, Command 'lock CDCl3' failed. Lock is PENDING
59 10:04:47 20260203-1644-B400_B.14-59 10 H1_Day q50682hk - - - - - - - Ref HK-129-104-dark Group Willcox_D
58 10:02:10 20260203-1633-B400_B.14-58 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-19-r1 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
58 09:56:20 20260203-1633-B400_B.14-58 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-19-r1 Group Trowbridge_A
57 09:52:06 20260203-1626-B400_B.14-57 10 H1_Day a77256kr + + - + + + + Ref CAPG_KMRM_020a Group Goodwin_C in C6D6
33 09:47:11 20260203-1738-B400_B.14-33 21 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
56 09:42:41 20260203-1606-B400_B.14-56 10 H1_Day j40457bh + + - + + + + Ref bh ah 264 Group Trowbridge_A
55 09:38:10 20260203-1606-B400_B.14-55 10 H1_Day j40457bh + + - + + + + Ref bh ah 258 plug Group Trowbridge_A
54 09:33:20 20260203-1555-B400_B.14-54 10 H1_Day t91715jk + + - + + + + Ref JK123 cyclic pure in chloro Group Gibson_M JK123 cyclic pure in chloro
53 09:27:56 20260203-1539-B400_B.14-53 10 H1_Day b59259yj + + - + + + + Ref MTYJ513_workup Group Turner_M
52 09:22:46 20260203-1534-B400_B.14-52 10 H1_Day u67812sg + + - + + + + Ref sq-2-24-2 Group Procter_D
51 09:18:08 20260204-0912-B400_B.14-51 10 H1_Day f85241bm + + - + + + + Ref BM1098 Group Bures_J
50 09:13:48 20260204-0853-B400_B.14-50 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-013-1 Group DeBo_G
49 09:09:10 20260204-0852-B400_B.14-49 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-012-1-prep Group DeBo_G
48 09:06:53 20260204-0830-B400_B.14-48 11 F19_CPD_Day c46714th - + - - - + + Ref TH-917-001-rm Group James_M 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
48 09:02:37 20260204-0830-B400_B.14-48 10 H1_Day c46714th + + - + + + + Ref TH-917-001-rm Group James_M
47 09:00:19 20260204-0830-B400_B.14-47 11 F19_CPD_Day c46714th - + - - - + + Ref TH-916-001-rm Group James_M 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
47 08:55:47 20260204-0830-B400_B.14-47 10 H1_Day c46714th + + - + + + + Ref TH-916-001-rm Group James_M
46 08:53:07 20260204-0829-B400_B.14-46 11 F19_CPD_Day c46714th - + - - - + + Ref TH-915-001-rm Group James_M 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
46 08:48:36 20260204-0829-B400_B.14-46 10 H1_Day c46714th + + - + + + + Ref TH-915-001-rm Group James_M
45 08:43:50 20260203-0936-B400_B.14-45 14 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-153 Group Larrosa_I 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 08:39:06 20260203-0936-B400_B.14-45 13 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-153 Group Larrosa_I
44 08:34:15 20260204-0758-B400_B.14-44 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-152 Group Larrosa_I 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 08:29:44 20260204-0758-B400_B.14-44 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-152 Group Larrosa_I
40 08:24:58 20260203-1412-B400_B.14-40 12 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-151 Group Larrosa_I 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 08:20:34 20260203-1412-B400_B.14-40 11 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-151 Group Larrosa_I
39 08:15:48 20260204-0755-B400_B.14-39 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-150 Group Larrosa_I 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
39 08:11:30 20260204-0755-B400_B.14-39 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-150 Group Larrosa_I
38 08:05:54 20260204-0754-B400_B.14-38 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-149 Group Larrosa_I 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 08:01:55 20260204-0754-B400_B.14-38 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-149 Group Larrosa_I
37 07:57:36 20260204-0740-B400_B.14-37 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SAC Group Riddell_I
36 07:53:27 20260204-0739-B400_B.14-36 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SNC Group Riddell_I
35 07:49:09 20260204-0738-B400_B.14-35 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4026-SPC Group Riddell_I
34 07:46:52 20260203-2011-B400_B.14-34 12 H1_Day d93111sd - + - - - + + Ref IL-SD-88---c Group Larrosa_I
34 07:39:11 20260203-2011-B400_B.14-34 11 F19_Quant_D1_8s_Day d93111sd + + - + + + + Ref IL-SD-88---c Group Larrosa_I 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
33 07:38:48 20260203-1738-B400_B.14-33 17 H1_Day a53046hl x - - - - - - Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026 WebService Error: 103.310.143:Magnet already occupied
33 07:38:18 20260203-1738-B400_B.14-33 16 H1_Day a53046hl - - - - - - - Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026 Automation was stopped by user
15 20:48:32 20260203-1434-B400_B.14-10 11 C13_CPD_Night256 p10102hz x - - - - - - Ref zhb-a-138aj-all Group Procter_D WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.15'.
9 20:48:04 20260203-1434-B400_B.14-9 11 C13_CPD_Night256 p10102hz x - - - - - - Ref zhb-a-138aj Group Procter_D WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.9'.
40 20:47:40 20260203-1412-B400_B.14-40 10 H1_Night128 j83970qc - - - - - - - Ref qc e751 test Group DeBo_G
23 20:30:43 20260203-1246-B400_B.14-23 11 C13_CPD_Night256 q49270na + + - + + + + Ref 86-2 Group Greaney_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 20:13:42 20260203-1245-B400_B.14-22 11 C13_CPD_Night256 q49270na + + - + + + + Ref 86-1 Group Greaney_M
33 20:09:02 20260203-1738-B400_B.14-33 15 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
51 20:04:31 20260203-1534-B400_B.14-51 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-1 Group Procter_D
50 19:59:35 20260203-1533-B400_B.14-50 10 H1_Day u67812sg + + - + + + + Ref sq-2-7-6p Group Procter_D
21 19:42:23 20260203-1244-B400_B.14-21 11 C13_CPD_Night256 q49270na + + - + + + + Ref 85-1 Group Greaney_M
33 19:38:00 20260203-1738-B400_B.14-33 14 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
16 19:18:51 20260203-1229-B400_B.14-16 10 H1_Night128 j83970qc + + - + + + + Ref qc 035-5p Group DeBo_G
33 19:14:07 20260203-1738-B400_B.14-33 13 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
49 19:09:06 20260203-1525-B400_B.14-49 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-8 Group Procter_D
32 18:57:52 20260131-2002-B400_B.14-30 12 C13_DEPT135_Night a74776dr + + - + + + + Ref DJP-DR-1-474-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 18:53:04 20260203-1525-B400_B.14-48 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-7 Group Procter_D
47 18:48:27 20260203-1525-B400_B.14-47 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-6 Group Procter_D
46 18:43:41 20260203-1533-B400_B.14-46 10 H1_Day u67812sg + + - + + + + Ref sq-2-7-4p Group Procter_D
33 18:39:05 20260203-1738-B400_B.14-33 12 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
44 18:34:37 20260203-1533-B400_B.14-44 10 H1_Day u67812sg + + - + + + + Ref sq-2-1-1p Group Procter_D
43 18:30:05 20260203-1527-B400_B.14-43 10 H1_Day a74776dr + + - + + + + Ref sph 3rd Group Procter_D
42 18:25:23 20260203-1533-B400_B.14-42 10 H1_Day u67812sg + + - + + + + Ref sq-1-170-2p Group Procter_D
41 18:21:03 20260203-1523-B400_B.14-40 10 H1_Day p10102hz + + - + + + + Ref JDR21 Group Procter_D
39 18:16:32 20260203-1523-B400_B.14-39 10 H1_Day p10102hz + + - + + + + Ref JDR20 Group Procter_D
33 18:12:01 20260203-1738-B400_B.14-33 11 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
38 18:07:07 20260203-1519-B400_B.14-38 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-126-c Group James_M 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 18:02:43 20260203-1519-B400_B.14-38 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-126-c Group James_M
37 17:57:56 20260203-1519-B400_B.14-37 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-115 f30-36 Group James_M unknown crap
36 17:50:55 20260203-1458-B400_B.14-36 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref IL-AMN-05-123 Group Larrosa_I 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 17:43:44 20260203-1457-B400_B.14-35 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref IL-AMN-05-122 Group Larrosa_I 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 17:39:01 20260203-1738-B400_B.14-33 10 H1_Day a53046hl + + - + + + + Ref hl-05-174-re-re-10 Group Leigh_D fuelled at 17:34 03/02/2026
34 17:34:28 20260203-1455-B400_B.14-34 10 H1_Day k48162ck + + - + + + + Ref pincer-ph Group Romanov_A
33 17:29:54 20260203-1318-B400_B.14-33 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref ED-03-004-x Group James_M
31 17:25:28 20260203-1121-B400_B.14-31 10 H1_Day mbdxkrn2 + + - + + + + Ref BG05 trit solid Group DeBo_G
30 17:20:59 20260203-1120-B400_B.14-30 10 H1_Day mbdxkrn2 + + - + + + + Ref BG005 trit liquid Group DeBo_G
29 17:16:26 20260203-1454-B400_B.14-29 10 H1_Day c46714th + + - + + + + Ref TH-916-001-rm Group James_M
28 17:11:58 20260203-1454-B400_B.14-28 10 H1_Day c46714th + + - + + + + Ref TH-915-001-rm Group James_M
27 17:07:38 20260203-1316-B400_B.14-27 10 H1_Day a77256kr + + - + + + + Ref CAPG_KMRM_020f Group Goodwin_C
26 16:16:36 20260203-1252-B400_B.14-26 11 Si29_DEPT90_Day g36620hh - - - - - - - Ref HH19.1 Group Mills_D
26 16:12:39 20260203-1252-B400_B.14-26 10 H1_Day g36620hh + + - + + + + Ref HH19.1 Group Mills_D
25 16:07:31 20260203-1250-B400_B.14-25 10 H1_Day z16689fe + + - + + + + Ref DJP FE 261 (columned) Group Procter_D
24 16:05:04 20260203-1249-B400_B.14-24 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-129-104-light Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24 16:00:02 20260203-1249-B400_B.14-24 10 H1_Day q50682hk + + - + + + + Ref HK-129-104-light Group Willcox_D
23 15:55:22 20260203-1246-B400_B.14-23 10 H1_Day q49270na + + - + + + + Ref 86-2 Group Greaney_M
22 15:50:56 20260203-1245-B400_B.14-22 10 H1_Day q49270na + + - + + + + Ref 86-1 Group Greaney_M
21 15:46:31 20260203-1244-B400_B.14-21 10 H1_Day q49270na + + - + + + + Ref 85-1 Group Greaney_M
20 15:41:17 20260203-1240-B400_B.14-20 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-024-RM Group James_M
19 15:36:33 20260203-1238-B400_B.14-19 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-022-RM Group James_M
18 15:31:30 20260203-1448-B400_B.14-18 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
17 15:26:38 20260203-1435-B400_B.14-17 10 H1_Day j83970qc + + - + + + + Ref qc e749 c Group DeBo_G
15 15:22:08 20260203-1434-B400_B.14-10 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aj-all Group Procter_D
14 15:17:06 20260203-1325-B400_B.14-14 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-88--c Group Larrosa_I 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
14 15:12:49 20260203-1325-B400_B.14-14 10 H1_Day d93111sd + + - + + + + Ref IL-SD-88--c Group Larrosa_I
13 15:08:31 20260203-1215-B400_B.14-13 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-691-3-2 Group Trowbridge_A
12 15:03:57 20260203-1210-B400_B.14-12 10 H1_Day y01348dm + + - + + + + Ref 03 Group Keerthi_A
11 14:59:42 20260203-1201-B400_B.14-11 10 H1_Day b37463mo + + - + + + + Ref CS_CO2BDGE_4_DMSO Group Shaver_M
10 14:54:58 20260203-1201-B400_B.14-10 10 H1_Day b37463mo + + - + + + + Ref CS_CO2BDGE_4_CDCl3 Group Shaver_M
9 14:49:57 20260203-1434-B400_B.14-9 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aj Group Procter_D
8 14:45:53 20260203-1147-B400_B.14-8 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4008-SAC-QualCheck Group Riddell_I
7 14:41:49 20260203-1147-B400_B.14-7 10 H1_Day m14269jw + + - + + + + Ref IR-JW-3097FC-QualCheck Group Riddell_I
6 14:37:30 20260203-1142-B400_B.14-6 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F32 Group Procter_D
5 14:32:58 20260203-1142-B400_B.14-5 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F31 Group Procter_D
4 14:28:22 20260203-1142-B400_B.14-4 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F26 Group Procter_D
40 14:24:00 20260203-1412-B400_B.14-40 11 H1_Day j83970qc + + - + + + + Ref qc e751 test Group DeBo_G
39 14:19:14 20260203-1411-B400_B.14-39 10 H1_Day t91715jk + + - + + + + Ref JK123 cyclic 2h in chloro Group Gibson_M JK123 cyclic 2h in chloro
38 14:14:31 20260203-1404-B400_B.14-38 10 H1_Day x25009jo + + - + + + + Ref GDB-JO-IP-012-crude Group DeBo_G
37 14:10:28 20260203-1354-B400_B.14-37 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-478-cr Group Procter_D
36 14:06:19 20260203-1354-B400_B.14-36 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-477-cr Group Procter_D
35 14:02:11 20260203-1354-B400_B.14-35 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-476-cr Group Procter_D
34 13:57:27 20260203-1354-B400_B.14-34 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-475-cr Group Procter_D
3 13:49:22 20260203-1133-B400_B.14-3 10 F19_CPD_Day q25190ha + + - x - - - Ref HA013 1 to 2 Group Winpenny_R Lock failed after multiple attempts, lock: Command 'lock CD2Cl2' failed. Lock is OFF, Command 'lock CD2Cl2' failed. Lock is OFF
2 13:46:21 20260203-1133-B400_B.14-2 10 F19_CPD_Day q25190ha + + - x - - - Ref HA 013 1 to 1 Group Winpenny_R Lock failed after multiple attempts, lock: Command 'lock CD2Cl2' failed. Lock is OFF, Command 'lock CD2Cl2' failed. Lock is OFF
1 13:43:12 20260203-1132-B400_B.14-1 10 F19_CPD_Day q25190ha - - - - - - - Ref REPW HA 13 Group Winpenny_R
60 13:38:44 20260203-1141-B400_B.14-60 10 H1_Day z86427mk + + - + + + + Ref MK-290-C F25 Group Procter_D
59 13:34:12 20260203-1137-B400_B.14-59 10 H1_Day a15978el + + - + + + + Ref MJJ-AS-01-021-RM Group James_M
58 13:29:21 20260203-1136-B400_B.14-58 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-144-after Group Larrosa_I 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
58 13:25:01 20260203-1136-B400_B.14-58 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-144-after Group Larrosa_I
57 13:20:14 20260203-1134-B400_B.14-57 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-diFbenzaldehyde Group Larrosa_I 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
57 13:15:32 20260203-1134-B400_B.14-57 10 H1_Day d93111sd + + - + + + + Ref IL-SD-diFbenzaldehyde Group Larrosa_I
56 13:09:13 20260203-1122-B400_B.14-56 11 H1_COSY_Day n29715ss - + - - - + + Ref DJP-SS-2chopdtagain Group Procter_D
56 13:04:45 20260203-1122-B400_B.14-56 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2chopdtagain Group Procter_D
55 12:54:52 20260203-1004-B400_B.14-55 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC171C 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/20260203-1004-B400_B.14-55/11/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/20260203-1004-B400_B.14-55/11/pdata/1/peaks!
55 12:51:12 20260203-1004-B400_B.14-55 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC171C 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/20260203-1004-B400_B.14-55/10/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/20260203-1004-B400_B.14-55/10/pdata/1/peaks!
54 12:41:19 20260203-1004-B400_B.14-54 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC171B 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/20260203-1004-B400_B.14-54/11/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/20260203-1004-B400_B.14-54/11/pdata/1/peaks!
54 12:37:54 20260203-1004-B400_B.14-54 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC171B 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/20260203-1004-B400_B.14-54/10/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/20260203-1004-B400_B.14-54/10/pdata/1/peaks!
53 12:28:02 20260203-1004-B400_B.14-53 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC171A 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/20260203-1004-B400_B.14-53/11/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/20260203-1004-B400_B.14-53/11/pdata/1/peaks!
53 12:24:31 20260203-1004-B400_B.14-53 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC171A 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/20260203-1004-B400_B.14-53/10/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/20260203-1004-B400_B.14-53/10/pdata/1/peaks!
52 12:19:44 20260203-1002-B400_B.14-52 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-146-after Group Larrosa_I 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
52 12:14:59 20260203-1002-B400_B.14-52 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-146-after Group Larrosa_I
51 12:10:06 20260203-1000-B400_B.14-51 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-145-after Group Larrosa_I 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 12:05:46 20260203-1000-B400_B.14-51 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-145-after Group Larrosa_I
50 12:01:00 20260203-0954-B400_B.14-50 10 H1_Day f09303eg + + - + + + + Ref dte24 sm Group Webb_S
49 11:56:30 20260203-0954-B400_B.14-49 10 H1_Day f09303eg + + - + + + + Ref dte24 16 18 Group Webb_S
48 11:51:59 20260203-0954-B400_B.14-48 10 H1_Day f09303eg + + - + + + + Ref dte24 z123 Group Webb_S
47 11:47:03 20260203-0952-B400_B.14-47 10 H1_Day q62112nk + + - + + + + Ref DJP SO79 Group Procter_D
46 11:44:26 20260203-0937-B400_B.14-46 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-21-r1 Group Trowbridge_A pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260203-0937-B400_B.14-46/11/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260203-0937-B400_B.14-46/11/pdata/1/peaks!
46 11:41:20 20260203-0937-B400_B.14-46 10 F19_NoCPD_Day c62220rg + + - + - + + Ref at-rg-6-21-r1 Group Trowbridge_A
45 11:14:35 20260203-0936-B400_B.14-45 11 Si29_DEPT90_Day m69065je - - - - - - - Ref JEK602_rrc Group Mills_D JEK602_rrc
45 11:11:30 20260203-0936-B400_B.14-45 10 H1_Day m69065je + + - + - + + Ref JEK602_rrc Group Mills_D JEK602_rrc pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-0936-B400_B.14-45/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-0936-B400_B.14-45/10/pdata/1/peaks!
44 11:07:48 20260203-0936-B400_B.14-44 12 F19_NoCPD_Day m69065je + + - + - + + Ref JEK591_rrc Group Mills_D JEK591_rrc
44 10:05:11 20260203-0936-B400_B.14-44 11 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK591_rrc Group Mills_D JEK591_rrc pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-0936-B400_B.14-44/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-0936-B400_B.14-44/11/pdata/1/peaks!, Automation was stopped by user
44 10:01:42 20260203-0936-B400_B.14-44 10 H1_Day m69065je + + - + - + + Ref JEK591_rrc Group Mills_D JEK591_rrc pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-0936-B400_B.14-44/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260203-0936-B400_B.14-44/10/pdata/1/peaks!
43 09:57:11 20260203-0932-B400_B.14-43 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-17 Group Riddell_I
42 09:52:42 20260203-0932-B400_B.14-42 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-16 F35 Group Riddell_I
41 09:48:12 20260203-0931-B400_B.14-41 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-16 F30 Group Riddell_I
40 09:43:05 20260203-0925-B400_B.14-40 10 H1_Day h68355ac + + - + + + + Ref djp-oc-924-aw-b Group Procter_D
39 09:38:00 20260203-0924-B400_B.14-39 10 H1_Day h68355ac + + - + + + + Ref djp-oc-995-aw Group Procter_D
38 09:33:08 20260203-0909-B400_B.14-38 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-741-(c) Group Greaney_M
37 09:28:14 20260203-0908-B400_B.14-37 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-741-(b) Group Greaney_M
36 09:23:17 20260203-0908-B400_B.14-36 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-741-(a) Group Greaney_M
34 09:18:20 20260203-0908-B400_B.14-34 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-740 Group Greaney_M
33 09:13:48 20260203-0905-B400_B.14-33 10 H1_Day x06125gb + + - + + + + Ref GCGBRC Group Crisenza_G
32 08:58:50 20260131-2002-B400_B.14-30 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-1-474-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 08:54:18 20260131-2002-B400_B.14-30 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-1-474-cr Group Procter_D
28 08:49:33 20260203-0821-B400_B.14-28 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-125-c Group James_M 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 08:44:40 20260203-0821-B400_B.14-28 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-125-c Group James_M
27 08:39:56 20260203-0749-B400_B.14-27 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-147 Group Larrosa_I 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 08:35:18 20260203-0749-B400_B.14-27 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-147 Group Larrosa_I
26 08:30:34 20260203-0820-B400_B.14-26 11 F19_Quant_D1_8s_Day a15978el - + - - - + + Ref MJJ EL-04-124-c Group James_M 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 08:25:36 20260203-0820-B400_B.14-26 10 H1_Quant_NS1_Day a15978el + + - + + + + Ref MJJ EL-04-124-c Group James_M
25 08:21:30 20260203-0801-B400_B.14-25 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1629 Prep Main Band - Acetone-d6 Group DeBo_G
24 08:16:54 20260203-0801-B400_B.14-24 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1606 Prep Main Band - Acetone-d6 Group DeBo_G
23 08:12:07 20260203-0747-B400_B.14-23 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-146 Group Larrosa_I 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 08:07:46 20260203-0747-B400_B.14-23 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-146 Group Larrosa_I
22 08:02:59 20260203-0746-B400_B.14-22 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-145 Group Larrosa_I 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 07:58:33 20260203-0746-B400_B.14-22 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-145 Group Larrosa_I
21 07:53:04 20260203-0744-B400_B.14-21 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-144 Group Larrosa_I 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 07:48:10 20260203-0744-B400_B.14-21 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-144 Group Larrosa_I
19 07:34:05 20260202-2315-B400_B.14-19 10 H1_Night128 a74776dr + + - + + + + Ref sph 2nd Group Procter_D
18 07:19:47 20260202-2315-B400_B.14-18 10 H1_Night128 a74776dr + + - + + + + Ref sph 1st Group Procter_D
17 07:15:18 20260202-2035-B400_B.14-17 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-2-19 Group Procter_D
16 07:10:56 20260202-2035-B400_B.14-16 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-2-16 Group Procter_D
15 07:05:06 20260202-2034-B400_B.14-15 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-2-11 Group Procter_D
9 07:00:06 20260202-2034-B400_B.14-9 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-1-19,21 Group Procter_D
10 06:55:36 20260202-2033-B400_B.14-10 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-2-7 Group Procter_D
8 06:50:50 20260202-2033-B400_B.14-8 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-1-10,12 Group Procter_D
5 06:36:46 20260202-2018-B400_B.14-5 10 H1_Night128 a74776dr + + - + + + + Ref nhc Group Procter_D
4 06:22:41 20260202-2018-B400_B.14-4 10 H1_Night128 a74776dr + + - + + + + Ref 400 2nd Group Procter_D
3 06:08:38 20260202-2018-B400_B.14-3 10 H1_Night128 a74776dr + + - + + + + Ref 400 1st Group Procter_D
2 06:04:08 20260202-1938-B400_B.14-2 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-696-P2-F20-24 Group Trowbridge_A
1 05:57:46 20260202-1938-B400_B.14-1 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-696-P1-F25-28 Group Trowbridge_A lock: Command 'lock CDCl3' failed. Lock is PENDING
7 05:40:34 20260202-1938-B400_B.14-7 10 C13_CPD_Night256 w61916tz + + - + + + + Ref STL-XLDD-I-vial-3rdcycle Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6 05:23:35 20260202-1937-B400_B.14-6 10 C13_CPD_Night256 w61916tz + + - + + + + Ref STL-XLD-I-ampoulle-2ndcycle Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60 05:17:18 20260202-1907-B400_B.14-60 11 H1_COSY_Day p10102hz - + - - - + + Ref DJP-SS-2chopdt Group Procter_D
60 05:00:24 20260202-1907-B400_B.14-60 10 C13_CPD_Night256 p10102hz + + - + + + + Ref DJP-SS-2chopdt Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 04:43:21 20260202-1902-B400_B.14-59 10 C13_CPD_Night256 p10102hz + + - + + + + Ref DJP-SS-4No2bacidisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58 04:26:00 20260202-1902-B400_B.14-58 10 C13_CPD_Night256 p10102hz + + - + + + + Ref DJP-SS-1naphthbacidisolated Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57 02:55:22 20260202-1815-B400_B.14-57 10 H1_Night128 j83970qc + + - + + + + Ref qc-035-6p Group DeBo_G
56 01:24:35 20260202-1815-B400_B.14-56 10 H1_Night128 j83970qc + + - + + + + Ref qc 035-5p Group DeBo_G
55 00:39:25 20260202-1809-B400_B.14-55 12 F19_CPD_Night_1024 mbdxkrn2 - + - - - + + Ref qc 612-1 p Group DeBo_G 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
55 23:08:03 20260202-1809-B400_B.14-55 11 H1_Night128 j83970qc + + - + + + + Ref qc 612-1 p Group DeBo_G
54 22:55:44 20260202-1756-B400_B.14-54 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-001-02 Group James_M
54 22:37:20 20260202-1756-B400_B.14-54 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-001-02 Group James_M
54 22:35:08 20260202-1756-B400_B.14-54 13 H1_Night g23544jd - + - - - + + Ref ED-03-001-02 Group James_M
54 21:14:05 20260202-1756-B400_B.14-54 12 H1_COSY_NS32_Night g23544jd + + - + + + + Ref ED-03-001-02 Group James_M
41 20:57:25 20260202-1630-B400_B.14-41 11 C13_CPD_Night256 m52750pm + + - + + + + Ref GC_MP009_carbon Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
35 20:56:50 20260202-1618-B400_B.14-35 10 C13_CPD_Night256 z16689fe x - - - - - - Ref DJP FE 260 Group Procter_D WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.35'.
53 20:44:31 20260202-1752-B400_B.14-53 15 H1_C13_HSQC_US_Night g23544jd - + - - - + + Ref ED-03-001-01 Group James_M
53 20:26:07 20260202-1752-B400_B.14-53 14 H1_C13_HMBC_US_Night g23544jd - + - - - + + Ref ED-03-001-01 Group James_M
53 20:19:51 20260202-1752-B400_B.14-53 13 H1_COSY_Day g23544jd - + - - - + + Ref ED-03-001-01 Group James_M
53 18:59:08 20260202-1752-B400_B.14-53 12 H1_COSY_NS32_Night g23544jd + + - + + + + Ref ED-03-001-01 Group James_M
54 18:42:37 20260202-1756-B400_B.14-54 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-001-02 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53 18:25:19 20260202-1752-B400_B.14-53 11 C13_CPD_Night256 g23544jd + + - + + + + Ref ED-03-001-01 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54 18:20:24 20260202-1756-B400_B.14-54 10 H1_Day g23544jd + + - + + + + Ref ED-03-001-02 Group James_M
53 18:15:28 20260202-1752-B400_B.14-53 10 H1_Day g23544jd + + - + x + + Ref ED-03-001-01 Group James_M topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
52 17:58:17 20260202-1746-B400_B.14-52 10 C13_CPD_Night256 a74776dr + + - + + + + Ref DJP-DR-1-473-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 17:53:04 20260202-1719-B400_B.14-51 10 H1_Day f85241bm + + - + + + + Ref BM1098-1 Group Bures_J TsCl
50 17:48:20 20260202-1715-B400_B.14-50 10 H1_Day j40457bh + + - + + + + Ref bhah247 c1fr25 Group Trowbridge_A
49 17:45:49 20260202-1710-B400_B.14-49 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-122.2 f19-26 Group James_M 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
49 17:41:29 20260202-1710-B400_B.14-49 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-122.2 f19-26 Group James_M
48 17:38:04 20260202-1710-B400_B.14-48 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-130 Group Willcox_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/Willcox_D/data/q50682hk/nmr/20260202-1710-B400_B.14-48/11/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/Willcox_D/data/q50682hk/nmr/20260202-1710-B400_B.14-48/11/pdata/1/peaks!
48 17:33:20 20260202-1710-B400_B.14-48 10 H1_Day q50682hk + + - + + + + Ref HK-130 Group Willcox_D
47 17:29:14 20260202-1708-B400_B.14-47 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref ED-03-003-x Group James_M
46 17:24:04 20260202-1645-B400_B.14-46 10 H1_Day j40457bh + + - + + + + Ref bh ah 253 c1fr47-51 Group Trowbridge_A
45 17:19:36 20260202-1627-B400_B.14-45 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aau Group Procter_D
44 17:15:14 20260202-1627-B400_B.14-44 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-4 Group Procter_D
43 17:10:46 20260202-1627-B400_B.14-43 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-3 Group Procter_D
42 17:05:47 20260202-1643-B400_B.14-42 10 H1_Day q62112nk + + - + + + + Ref DDJP SO77 Group Procter_D
41 17:00:46 20260202-1630-B400_B.14-41 10 F19_CPD_Day m52750pm + + - + + + + Ref GC_MP009_fluorine Group Crisenza_G 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 16:55:57 20260202-1629-B400_B.14-40 10 H1_Day w61916tz + + - + + + + Ref ligand new Group Schroder_M
39 16:50:14 20260202-1626-B400_B.14-39 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-2 Group Procter_D
38 16:45:28 20260202-1626-B400_B.14-38 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-1 Group Procter_D
37 16:40:32 20260202-1626-B400_B.14-37 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad-0 Group Procter_D
36 16:35:49 20260202-1624-B400_B.14-36 10 H1_Day a74776dr + + - + + + + Ref djp-muze Group Procter_D
34 16:28:52 20260202-1614-B400_B.14-34 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-125-c Group James_M 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 16:21:55 20260202-1614-B400_B.14-33 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-124-c Group James_M 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 16:14:34 20260202-1613-B400_B.14-32 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-123-c Group James_M 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 16:07:51 20260202-1607-B400_B.14-27 10 H1_Day m52750pm + + - + + + + Ref GC_MP009 Group Crisenza_G
23 16:02:41 20260202-1601-B400_B.14-23 10 H1_Day t91715jk + + - + + + + Ref JK123 pure in chloro Group Gibson_M JK123 pure in chloro
22 15:58:20 20260202-1557-B400_B.14-22 10 H1_Day z16689fe + + - + + + + Ref DJP FE 260 Group Procter_D
21 15:52:05 20260202-1546-B400_B.14-21 10 H1_Day j40457bh + + - + + + + Ref bh ah 265 Group Trowbridge_A
20 15:46:32 20260202-1545-B400_B.14-20 10 H1_Day j40457bh + + - + + + + Ref bh ah 263 Group Trowbridge_A
19 15:28:57 20260202-1527-B400_B.14-19 10 H1_Day z88883sp + + - + + + + Ref PyBrtBuPh Group Romanov_A
18 15:24:06 20260202-1523-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-739 Group Greaney_M
3 14:48:21 20260202-1443-B400_B.14-3 10 H1_Day f85241bm + + - + + + + Ref BM1097-2 Group Bures_J
2 14:44:10 20260202-1443-B400_B.14-2 10 H1_Day f85241bm + + - + + + + Ref BM1095-5 Group Bures_J
1 14:20:32 20260202-1414-B400_B.14-1 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-143 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
1 14:16:13 20260202-1414-B400_B.14-1 10 H1_Day d93111sd + + - + + + + Ref IL-SD-143 Group Larrosa_I
47 14:04:34 20260202-1404-B400_B.14-47 10 H1_Day z88883sp + + - + + + + Ref SP404e Group Romanov_A Recovery of BNO alkyne
46 13:42:06 20260202-1332-B400_B.14-46 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-1' Group Procter_D
45 13:37:10 20260202-1332-B400_B.14-45 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-1 Group Procter_D
44 13:32:33 20260202-1332-B400_B.14-44 10 H1_Day u67812sg + + - + + + + Ref sq-2-25-2 Group Procter_D
41 13:03:34 20260202-1252-B400_B.14-41 10 H1_Day a74776dr + + - + + + + Ref djp-muze Group Procter_D
40 12:59:11 20260202-1250-B400_B.14-40 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-4NO2isolated Group Procter_D
39 12:54:00 20260202-1249-B400_B.14-39 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-1napthylisolated Group Procter_D
38 12:49:25 20260202-1242-B400_B.14-38 10 H1_Day w61916tz + + - + + + + Ref washed liand Group Schroder_M
37 12:43:56 20260202-1242-B400_B.14-37 10 H1_Day w61916tz + + - + + + + Ref blank Group Schroder_M
8 12:13:04 20260202-1054-B400_B.14-8 12 C13_CPD_Night256 t91715jk + + - + + + + Ref JK123 bisbromo initiator recrystallised in chloro Group Gibson_M JK123 bisbromo initiator recrystallised in chloro sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 12:08:30 20260202-1206-B400_B.14-26 10 H1_Day t91715jk + + - + + + + Ref JK123 t final in chloro Group Gibson_M JK123 t final in chloro
25 12:05:16 20260202-1157-B400_B.14-25 10 H1_Day h68355ac + + - + - + + Ref djp-oc-995-is-dmso Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260202-1157-B400_B.14-25/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260202-1157-B400_B.14-25/10/pdata/1/peaks!
24 12:00:29 20260202-1145-B400_B.14-24 10 H1_Day q62112nk + + - + + + + Ref DJP SO76 Group Procter_D
23 11:55:41 20260202-1118-B400_B.14-23 10 H1_Day q62112nk + + - + + + + Ref DJP SO75 Group Procter_D
22 11:51:03 20260202-1118-B400_B.14-22 10 H1_Day q62112nk + + - + + + + Ref DJP SO74 Group Procter_D
20 11:46:49 20260202-1136-B400_B.14-20 10 H1_Day t91715jk + + - + + + + Ref JK123 t0 in chloro Group Gibson_M JK123 t0 in chloro
19 11:41:58 20260202-1132-B400_B.14-19 10 H1_Day m52750pm + + - + + + + Ref GC_MP009_check1 Group Crisenza_G
18 11:37:29 20260202-1116-B400_B.14-18 10 H1_Day q62112nk + + - + + + + Ref DJP SO73 Group Procter_D
17 11:32:55 20260202-1116-B400_B.14-17 10 H1_Day q62112nk + + - + + + + Ref DJP SO72 Group Procter_D
16 11:28:37 20260202-1115-B400_B.14-16 10 H1_Day q62112nk + + - + + + + Ref DJP SO71 Group Procter_D
15 11:24:15 20260202-1049-B400_B.14-15 10 H1_Day b37463mo + + - + + + + Ref JM-5 Group Shaver_M
8 11:17:56 20260202-1054-B400_B.14-8 11 H1_COSY_Day t91715jk - + - - - + + Ref JK123 bisbromo initiator recrystallised in chloro Group Gibson_M JK123 bisbromo initiator recrystallised in chloro
8 11:13:09 20260202-1054-B400_B.14-8 10 H1_Day t91715jk + + - + + + + Ref JK123 bisbromo initiator recrystallised in chloro Group Gibson_M JK123 bisbromo initiator recrystallised in chloro
7 11:09:03 20260202-1047-B400_B.14-7 10 H1_Day b37463mo + + - + + + + Ref JM-4 Group Shaver_M
6 11:04:39 20260202-1047-B400_B.14-6 10 H1_Day b37463mo + + - + + + + Ref JM-3 Group Shaver_M
5 10:58:18 20260202-1046-B400_B.14-5 12 H1_COSY_Day b37463mo - + - - - + + Ref JM-2 Group Shaver_M
5 10:53:51 20260202-1046-B400_B.14-5 11 H1_WaterSupp_Day b37463mo - + - - - + + Ref JM-2 Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5 10:49:53 20260202-1046-B400_B.14-5 10 H1_Day b37463mo + + - + + + + Ref JM-2 Group Shaver_M
4 10:45:11 20260202-1039-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-140 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4 10:40:48 20260202-1039-B400_B.14-4 10 H1_Day d93111sd + + - + + + + Ref IL-SD-140 Group Larrosa_I
3 10:37:06 20260202-1033-B400_B.14-3 10 H1_Day h68355ac + + - + - + + Ref djp-oc-994-is Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260202-1033-B400_B.14-3/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260202-1033-B400_B.14-3/10/pdata/1/peaks!
2 10:33:49 20260202-1033-B400_B.14-2 10 H1_Day h68355ac + + - + - + + Ref djp-oc-993-is Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260202-1033-B400_B.14-2/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260202-1033-B400_B.14-2/10/pdata/1/peaks!
1 10:29:05 20260202-1028-B400_B.14-1 10 H1_Day e72206ov + + - + + + + Ref ov-011-a f2 col2(accidental so anither col) Group DeBo_G
49 10:13:16 20260202-1005-B400_B.14-49 10 H1_Day f85241bm + + - + + + + Ref BM1097-1 Group Bures_J crude
48 10:07:39 20260202-0952-B400_B.14-48 10 H1_Day f09303eg + + - + + + + Ref dte22 reste Group Webb_S
47 10:02:31 20260202-0952-B400_B.14-47 10 H1_Day f09303eg + + - + + + + Ref dte22 56 Group Webb_S
46 09:58:02 20260202-0952-B400_B.14-46 10 H1_Day f09303eg + + - + + + + Ref dte22 55 Group Webb_S
45 09:53:23 20260202-0952-B400_B.14-45 10 H1_Day f09303eg + + - + + + + Ref dte22 54 Group Webb_S
44 09:24:47 20260202-0924-B400_B.14-44 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-11.2 Group Riddell_I
43 08:22:09 20260202-0805-B400_B.14-43 11 F19_CPD_Day mbdxkrn2 - + - - - + + Ref GDB-RN1628 Prep Main Band - Acetone-d6 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
43 08:18:00 20260202-0805-B400_B.14-43 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1628 Prep Main Band - Acetone-d6 Group DeBo_G
42 08:13:52 20260202-0805-B400_B.14-42 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1606 Prep Recovered Materials - Acetone-d6 Group DeBo_G
41 08:10:39 20260202-0804-B400_B.14-41 11 F19_CPD_Day mbdxkrn2 - + - - - + + Ref GDB-RN1628 Et2O-washed crude - Acetone-d6 Group DeBo_G sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
41 08:06:21 20260202-0804-B400_B.14-41 10 H1_Day mbdxkrn2 + + - + + + + Ref GDB-RN1628 Et2O-washed crude - Acetone-d6 Group DeBo_G
30 07:41:06 20260202-0740-B400_B.14-30 10 H1_Night128 m14269jw + + - + + + + Ref IR-JW-4022-Contv2 Group Riddell_I
29 21:32:35 20260201-1936-B400_B.14-29 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GCPM252F3 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 21:27:42 20260201-1936-B400_B.14-29 10 H1_Night m52750pm + + - + + + + Ref GCPM252F3 Group Crisenza_G
26 21:23:23 20260201-1936-B400_B.14-26 10 H1_Night m52750pm + + - + + + + Ref GCPM251cr Group Crisenza_G
28 21:08:54 20260201-1933-B400_B.14-28 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GCPM252F4 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 21:04:37 20260201-1933-B400_B.14-28 10 H1_Night m52750pm + + - + + + + Ref GCPM252F4 Group Crisenza_G
27 20:50:11 20260201-1933-B400_B.14-27 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GCPM252F1 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 20:45:33 20260201-1933-B400_B.14-27 10 H1_Night m52750pm + + - + + + + Ref GCPM252F1 Group Crisenza_G
36 20:40:52 20260201-1838-B400_B.14-36 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-697-iso Group Trowbridge_A
35 20:36:22 20260201-1838-B400_B.14-35 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-695-P1 Group Trowbridge_A
34 20:21:46 20260201-1837-B400_B.14-34 11 C13_CPD_Night256 b26045ab - + - - - + + Ref AT-ABO-02-687-P1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 20:17:05 20260201-1837-B400_B.14-34 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-687-P1 Group Trowbridge_A
23 20:12:31 20260201-1818-B400_B.14-23 12 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK597 Group Mills_D JEK597 pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1818-B400_B.14-23/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1818-B400_B.14-23/12/pdata/1/peaks!
23 20:10:59 20260201-1818-B400_B.14-23 11 B11_NoCPD_Day m69065je - + - - - + + Ref JEK597 Group Mills_D JEK597 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/Mills_D/data/m69065je/nmr/20260201-1818-B400_B.14-23/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1818-B400_B.14-23/11/pdata/1/peaks!
23 20:07:59 20260201-1818-B400_B.14-23 10 H1_Day m69065je + + - + - + + Ref JEK597 Group Mills_D JEK597 pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1818-B400_B.14-23/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1818-B400_B.14-23/10/pdata/1/peaks!
22 20:03:17 20260201-1817-B400_B.14-22 12 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK575 Group Mills_D JEK575 pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1817-B400_B.14-22/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1817-B400_B.14-22/12/pdata/1/peaks!
22 20:01:41 20260201-1817-B400_B.14-22 11 B11_NoCPD_Day m69065je - + - - - + + Ref JEK575 Group Mills_D JEK575 log_err: acqt0 not set in pulse program, result may be incorrect!, 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/Mills_D/data/m69065je/nmr/20260201-1817-B400_B.14-22/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1817-B400_B.14-22/11/pdata/1/peaks!
22 19:58:22 20260201-1817-B400_B.14-22 10 H1_Day m69065je + + - + - + + Ref JEK575 Group Mills_D JEK575 pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1817-B400_B.14-22/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Mills_D/data/m69065je/nmr/20260201-1817-B400_B.14-22/10/pdata/1/peaks!
1 19:53:40 20260201-1756-B400_B.14-1 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-2CHOcolumn Group Procter_D
40 19:47:21 20260201-1702-B400_B.14-40 11 H1_COSY_Day h68355ac - + - - - + + Ref djp-oc-991-is Group Procter_D
40 19:44:20 20260201-1702-B400_B.14-40 10 H1_Day h68355ac + + - + - + + Ref djp-oc-991-is Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260201-1702-B400_B.14-40/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260201-1702-B400_B.14-40/10/pdata/1/peaks!
39 19:39:56 20260201-1658-B400_B.14-39 10 H1_Day y01348dm + + - + + + + Ref MTYJRp8_1.2.2026 Group Keerthi_A
25 19:25:20 20260201-1628-B400_B.14-25 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-1-10 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 19:20:03 20260201-1628-B400_B.14-25 10 H1_Day u67812sg + + - + + + + Ref sq-1-10 Group Procter_D
43 19:16:22 20260201-1626-B400_B.14-43 14 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK648_rrc Group Mills_D JEK648_rrc 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/20260201-1626-B400_B.14-43/14/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/20260201-1626-B400_B.14-43/14/pdata/1/peaks!
43 19:15:04 20260201-1626-B400_B.14-43 13 B11_NoCPD_Day m69065je - + - - - + + Ref JEK648_rrc Group Mills_D JEK648_rrc log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260201-1626-B400_B.14-43/13/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/20260201-1626-B400_B.14-43/13/pdata/1/peaks!
43 19:12:06 20260201-1626-B400_B.14-43 12 B11_CPD_Day m69065je - + - - - + + Ref JEK648_rrc Group Mills_D JEK648_rrc 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/20260201-1626-B400_B.14-43/12/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/20260201-1626-B400_B.14-43/12/pdata/1/peaks!
43 19:10:55 20260201-1626-B400_B.14-43 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK648_rrc Group Mills_D JEK648_rrc
43 19:06:56 20260201-1626-B400_B.14-43 10 H1_Day m69065je + + - + + + + Ref JEK648_rrc Group Mills_D JEK648_rrc
42 19:03:16 20260201-1625-B400_B.14-42 14 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK647_rrc Group Mills_D JEK647_rrc 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/20260201-1625-B400_B.14-42/14/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/20260201-1625-B400_B.14-42/14/pdata/1/peaks!
42 19:01:55 20260201-1625-B400_B.14-42 13 B11_NoCPD_Day m69065je - + - - - + + Ref JEK647_rrc Group Mills_D JEK647_rrc log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260201-1625-B400_B.14-42/13/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/20260201-1625-B400_B.14-42/13/pdata/1/peaks!
42 18:58:57 20260201-1625-B400_B.14-42 12 B11_CPD_Day m69065je - + - - - + + Ref JEK647_rrc Group Mills_D JEK647_rrc 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/20260201-1625-B400_B.14-42/12/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/20260201-1625-B400_B.14-42/12/pdata/1/peaks!
42 18:57:41 20260201-1625-B400_B.14-42 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK647_rrc Group Mills_D JEK647_rrc
42 18:53:22 20260201-1625-B400_B.14-42 10 H1_Day m69065je + + - + + + + Ref JEK647_rrc Group Mills_D JEK647_rrc
32 18:27:03 20260201-1428-B400_B.14-32 12 Si29_DEPT90_Night m69065je - - - - - - - Ref JEK567_Cpttt Group Mills_D JEK567_Cpttt
32 18:16:33 20260201-1428-B400_B.14-32 11 F19_NoCPD_Night m69065je + + - + x + + Ref JEK567_Cpttt Group Mills_D JEK567_Cpttt topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed, 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
23 17:31:47 20260201-1428-B400_B.14-23 10 H1_Day m69065je + + - x - - - Ref JEK597_Cpiii Group Mills_D JEK597_Cpiii Lock failed after multiple attempts, lock: Command 'lock C6D6' failed. Lock is PENDING, Command 'lock C6D6' failed. Lock is PENDING
22 17:29:03 20260201-1427-B400_B.14-22 10 H1_Day m69065je + + - x - - - Ref JEK575_Cpttt Group Mills_D JEK575_Cpttt Lock failed after multiple attempts, lock: Command 'lock C6D6' failed. Lock is OFF, Command 'lock C6D6' failed. Lock is OFF
38 17:05:49 20260201-1439-B400_B.14-38 11 Si29_DEPT90_Night m69065je - - - - - - - Ref JEK591_rrc Group Mills_D
38 17:00:24 20260201-1439-B400_B.14-38 10 H1_Night m69065je + + - + + + + Ref JEK591_rrc Group Mills_D
37 16:36:12 20260201-1439-B400_B.14-37 11 Si29_DEPT90_Night m69065je - - - - - - - Ref JEK604_rrc Group Mills_D
37 16:30:36 20260201-1439-B400_B.14-37 10 H1_Night m69065je + + - + + + + Ref JEK604_rrc Group Mills_D
24 16:12:11 20260201-1433-B400_B.14-24 17 H1_C13_HMBC_US_Night u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D
24 15:48:34 20260201-1433-B400_B.14-24 16 H1_C13_HSQCed_Night u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D
24 15:46:23 20260201-1433-B400_B.14-24 15 H1_Night u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D
24 15:34:30 20260201-1433-B400_B.14-24 14 H1_COSY_HiRes_Night u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D
24 15:26:02 20260201-1433-B400_B.14-24 13 C13_DEPT90_Night u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 15:17:34 20260201-1433-B400_B.14-24 12 C13_DEPT135_Night u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 15:02:42 20260201-1433-B400_B.14-24 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-2-24-1p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 14:57:56 20260201-1433-B400_B.14-24 10 H1_Day u67812sg + + - + + + + Ref sq-2-24-1p Group Procter_D
33 14:55:30 20260201-1429-B400_B.14-33 10 H1_Night m69065je + + - x - - - Ref JEK6xx_Cpiii Group Mills_D JEK6xx_Cpiii Lock failed after multiple attempts, lock: Command 'lock C6D6' failed. Lock is OFF, Command 'lock C6D6' failed. Lock is OFF
32 14:52:53 20260201-1428-B400_B.14-32 10 H1_Night m69065je - - - - - - - Ref JEK6xx_Cpttt Group Mills_D JEK6xx_Cpttt
27 14:48:23 20260201-1423-B400_B.14-27 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(g) Group Greaney_M
26 14:43:47 20260201-1422-B400_B.14-26 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(f) Group Greaney_M
25 14:39:10 20260201-1422-B400_B.14-25 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(e) Group Greaney_M
21 14:34:28 20260201-1421-B400_B.14-21 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(d) Group Greaney_M
20 14:29:47 20260201-1420-B400_B.14-20 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(c) Group Greaney_M
19 14:24:53 20260201-1420-B400_B.14-19 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(b) Group Greaney_M
18 14:20:23 20260201-1419-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-736-(a) Group Greaney_M
51 14:07:47 20260201-1354-B400_B.14-51 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC170A 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/20260201-1354-B400_B.14-51/11/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/20260201-1354-B400_B.14-51/11/pdata/1/peaks!
51 14:03:54 20260201-1354-B400_B.14-51 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC170A 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/20260201-1354-B400_B.14-51/10/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/20260201-1354-B400_B.14-51/10/pdata/1/peaks!
52 13:59:34 20260201-1313-B400_B.14-52 10 H1_Day z86427mk + + - + + + + Ref MK-290-B Group Procter_D
50 13:54:41 20260201-1313-B400_B.14-50 10 H1_Day z86427mk + + - + + + + Ref MK-290-A F6 Group Procter_D
49 13:49:56 20260201-1312-B400_B.14-49 10 H1_Day z86427mk + + - + + + + Ref MK-290-A F4-5 Group Procter_D
48 13:45:20 20260201-1312-B400_B.14-48 10 H1_Day z86427mk + + - + + + + Ref MK-290-A F3 Group Procter_D
47 13:40:59 20260201-1241-B400_B.14-47 14 Si29_DEPT90_Day b36621hr - + - - - + + Ref HR212-[YP''3(THF)2]+CO2 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/b36621hr/nmr/20260201-1241-B400_B.14-47/14/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/b36621hr/nmr/20260201-1241-B400_B.14-47/14/pdata/1/peaks!
47 13:38:52 20260201-1241-B400_B.14-47 13 P31_NoCPD_Day b36621hr - + - - - + + Ref HR212-[YP''3(THF)2]+CO2 Group Mills_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
47 13:36:45 20260201-1241-B400_B.14-47 12 P31_NoCPD_Day b36621hr - + - - - + + Ref HR212-[YP''3(THF)2]+CO2 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 13:33:36 20260201-1241-B400_B.14-47 11 P31_Extrawide_Day b36621hr - + - - - + + Ref HR212-[YP''3(THF)2]+CO2 Group Mills_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47 13:29:29 20260201-1241-B400_B.14-47 10 H1_Day b36621hr + + - + + + + Ref HR212-[YP''3(THF)2]+CO2 Group Mills_D
46 13:02:50 20260201-1156-B400_B.14-46 11 Si29_DEPT90_Day m69065je - - - - - - - Ref JEK591_rrc Group Mills_D
46 12:58:13 20260201-1156-B400_B.14-46 10 H1_Day m69065je + + - + + + + Ref JEK591_rrc Group Mills_D
45 12:32:06 20260201-1156-B400_B.14-45 11 Si29_DEPT90_Day m69065je - - - - - - - Ref JEK604_rrc Group Mills_D JEK604_rrc
45 12:26:47 20260201-1156-B400_B.14-45 10 H1_Day m69065je + + - + + + + Ref JEK604_rrc Group Mills_D JEK604_rrc
44 12:23:03 20260201-1156-B400_B.14-44 14 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK596_rrc Group Mills_D JEK596_rrc 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/20260201-1156-B400_B.14-44/14/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/20260201-1156-B400_B.14-44/14/pdata/1/peaks!
44 12:21:42 20260201-1156-B400_B.14-44 13 B11_NoCPD_Day m69065je - + - - - + + Ref JEK596_rrc Group Mills_D JEK596_rrc log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260201-1156-B400_B.14-44/13/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/20260201-1156-B400_B.14-44/13/pdata/1/peaks!
44 12:18:44 20260201-1156-B400_B.14-44 12 B11_CPD_Day m69065je - + - - - + + Ref JEK596_rrc Group Mills_D JEK596_rrc 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/20260201-1156-B400_B.14-44/12/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/20260201-1156-B400_B.14-44/12/pdata/1/peaks!
44 12:17:38 20260201-1156-B400_B.14-44 11 H1_B11CPD_Day m69065je - - - - - - - Ref JEK596_rrc Group Mills_D JEK596_rrc
44 12:13:42 20260201-1156-B400_B.14-44 10 H1_Day m69065je + + - + + + + Ref JEK596_rrc Group Mills_D JEK596_rrc
43 12:09:36 20260201-1156-B400_B.14-43 14 Si29_DEPT90_Day m69065je - + - - - + + Ref JEK487_rrc Group Mills_D JEK487_rrc 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/20260201-1156-B400_B.14-43/14/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/20260201-1156-B400_B.14-43/14/pdata/1/peaks!
43 12:06:37 20260201-1156-B400_B.14-43 13 B11_CPD_Day m69065je - + - - - + + Ref JEK487_rrc Group Mills_D JEK487_rrc 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/20260201-1156-B400_B.14-43/13/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/20260201-1156-B400_B.14-43/13/pdata/1/peaks!
43 12:05:19 20260201-1156-B400_B.14-43 12 B11_NoCPD_Day m69065je - + - - - + + Ref JEK487_rrc Group Mills_D JEK487_rrc log_err: acqt0 not set in pulse program, result may be incorrect!, 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/20260201-1156-B400_B.14-43/12/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/20260201-1156-B400_B.14-43/12/pdata/1/peaks!
43 12:03:20 20260201-1156-B400_B.14-43 11 H1_B11CPD_Day m69065je - + - - - + + Ref JEK487_rrc Group Mills_D JEK487_rrc sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43 11:58:51 20260201-1156-B400_B.14-43 10 H1_Day m69065je + + - + + + + Ref JEK487_rrc Group Mills_D JEK487_rrc
5 11:30:10 20260201-1116-B400_B.14-5 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-142-after Group Larrosa_I 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 11:26:14 20260201-1116-B400_B.14-5 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-142-after Group Larrosa_I
4 11:21:29 20260201-1115-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-141-after Group Larrosa_I 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
4 11:16:35 20260201-1115-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-141-after Group Larrosa_I
8 10:22:11 20260201-0942-B400_B.14-8 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-142 Group Larrosa_I 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 10:18:00 20260201-0942-B400_B.14-8 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-142 Group Larrosa_I
7 10:13:09 20260201-0941-B400_B.14-7 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-141 Group Larrosa_I 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 10:08:27 20260201-0941-B400_B.14-7 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-141 Group Larrosa_I
3 10:03:38 20260201-0940-B400_B.14-3 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-138N Group Larrosa_I 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 09:59:15 20260201-0940-B400_B.14-3 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-138N Group Larrosa_I
2 09:54:30 20260201-0939-B400_B.14-2 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137N Group Larrosa_I 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 09:49:53 20260201-0939-B400_B.14-2 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137N Group Larrosa_I
1 09:44:24 20260201-0935-B400_B.14-1 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-136N Group Larrosa_I 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 09:39:06 20260201-0935-B400_B.14-1 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-136N Group Larrosa_I
26 22:54:58 20260131-2002-B400_B.14-26 12 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-1-471-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 22:40:28 20260131-2002-B400_B.14-26 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-1-471-1 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 22:35:52 20260131-2002-B400_B.14-26 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-1-471-1 Group Procter_D
26 21:32:08 20260131-2002-B400_B.14-26 12 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-1-469-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 21:17:29 20260131-2002-B400_B.14-26 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-1-469-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 21:12:59 20260131-2002-B400_B.14-26 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-1-469-2 Group Procter_D
25 21:07:58 20260131-2002-B400_B.14-25 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-1-465 Group Procter_D
22 20:53:03 20260131-1934-B400_B.14-22 11 C13_CPD_Night256 q62112nk - + - - - + + Ref nk-295 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22 20:48:53 20260131-1934-B400_B.14-22 10 H1_Day q62112nk + + - + + + + Ref nk-295 Group Procter_D
27 20:39:37 20260131-1824-B400_B.14-27 11 F19_CPD_Night a74776dr + + - + + + + Ref 396i 3rd Group Procter_D 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 20:29:43 20260131-1824-B400_B.14-24 11 F19_CPD_Night a74776dr + + - + + + + Ref 396i 2nd Group Procter_D 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 20:27:31 20260131-1843-B400_B.14-20 11 H1_Night h91839em - + - - - + + Ref gc em 243 F1 Group Crisenza_G
20 20:10:48 20260131-1843-B400_B.14-20 10 C13_CPD_Night256 h91839em + + - + + + + Ref gc em 243 F1 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 19:52:23 20260131-1842-B400_B.14-21 14 H1_C13_HMBC_US_Night h91839em - + - - - + + Ref gc em 243 F2 Group Crisenza_G
21 19:40:02 20260131-1842-B400_B.14-21 13 H1_C13_HSQC_US_Night h91839em - + - - - + + Ref gc em 243 F2 Group Crisenza_G
21 19:37:49 20260131-1842-B400_B.14-21 12 H1_Night h91839em - + - - - + + Ref gc em 243 F2 Group Crisenza_G
21 19:23:22 20260131-1842-B400_B.14-21 11 C13_CPD_Night256 h91839em - + - - - + + Ref gc em 243 F2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21 19:09:12 20260131-1842-B400_B.14-21 10 H1_Night128 h91839em + + - + + + + Ref gc em 243 F2 Group Crisenza_G
28 18:51:39 20260131-1838-B400_B.14-28 10 C13_CPD_Night256 m52750pm + + - + + + + Ref GCEM245Carbon Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 18:46:53 20260131-1824-B400_B.14-27 10 H1_Day a74776dr + + - + + + + Ref 396i 3rd Group Procter_D
26 18:42:37 20260131-1824-B400_B.14-26 10 H1_Day a74776dr + + - + + + + Ref 396i 2nd Group Procter_D
25 18:37:15 20260131-1824-B400_B.14-25 10 H1_Day a74776dr + + - + + + + Ref 396i 3rd Group Procter_D
24 18:32:31 20260131-1824-B400_B.14-24 10 H1_Day a74776dr + + - + + + + Ref 396i 2nd Group Procter_D
23 18:28:09 20260131-1824-B400_B.14-23 10 H1_Day a74776dr + + - + + + + Ref 396i 1st Group Procter_D
22 18:15:13 20260131-1719-B400_B.14-22 10 H1_Day m52750pm + + - + + + + Ref GCEM245cr Group Crisenza_G
2 18:00:48 20260131-1716-B400_B.14-2 11 C13_CPD_Night256 y01348dm - + - - - + + Ref akbg-12b Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2 17:55:55 20260131-1716-B400_B.14-2 10 H1_Day y01348dm + + - + + + + Ref akbg-12b Group Keerthi_A
1 17:41:30 20260131-1716-B400_B.14-1 11 C13_CPD_Night256 y01348dm - + - - - + + Ref akbg-12a Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 17:37:02 20260131-1716-B400_B.14-1 10 H1_Day y01348dm + + - + + + + Ref akbg-12a Group Keerthi_A
21 17:32:17 20260131-1706-B400_B.14-21 10 H1_Day h91839em + + - + + + + Ref gc em 241 f2 Group Crisenza_G
20 17:27:59 20260131-1706-B400_B.14-20 10 H1_Day h91839em + + - + + + + Ref gc em 241 f1 Group Crisenza_G
19 17:23:05 20260131-1656-B400_B.14-19 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-rxnDCMcelie Group Procter_D
18 17:18:38 20260131-1642-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-nic-imine Group Greaney_M
17 17:04:12 20260131-1620-B400_B.14-17 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-2-7-6p-ori Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 16:59:25 20260131-1620-B400_B.14-17 10 H1_Day u67812sg + + - + + + + Ref sq-2-7-6p-ori Group Procter_D
16 16:45:00 20260131-1620-B400_B.14-16 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-2-7-6p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16 16:39:46 20260131-1620-B400_B.14-16 10 H1_Day u67812sg + + - + + + + Ref sq-2-7-6p Group Procter_D
15 16:24:49 20260131-1620-B400_B.14-15 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-2-7-4p Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 16:20:29 20260131-1620-B400_B.14-15 10 H1_Day u67812sg + + - + + + + Ref sq-2-7-4p Group Procter_D
6 16:07:15 20260131-1545-B400_B.14-6 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-benzamide Group Larrosa_I 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 16:02:46 20260131-1545-B400_B.14-6 10 H1_Day d93111sd + + - + + + + Ref IL-SD-benzamide Group Larrosa_I
5 15:57:58 20260131-1544-B400_B.14-5 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-benzylamine Group Larrosa_I 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 15:53:42 20260131-1544-B400_B.14-5 10 H1_Day d93111sd + + - + + + + Ref IL-SD-benzylamine Group Larrosa_I
4 15:48:14 20260131-1541-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-136-r Group Larrosa_I 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
4 15:43:53 20260131-1541-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-136-r Group Larrosa_I
37 15:35:22 20260131-1523-B400_B.14-37 10 H1_Day j40457bh + + - + + + + Ref bhah260 Group Trowbridge_A
33 15:31:17 20260131-1521-B400_B.14-33 10 H1_Day j40457bh + + - + + + + Ref bhah261 Group Trowbridge_A
32 15:26:48 20260131-1521-B400_B.14-32 10 H1_Day j40457bh + + - + + + + Ref bhah258 dcm wash Group Trowbridge_A
31 15:22:16 20260131-1521-B400_B.14-31 10 H1_Day j40457bh + + - + + + + Ref bh ah 258 etoac wash Group Trowbridge_A
28 14:58:10 20260131-1457-B400_B.14-28 10 H1_Day m52750pm + + - + + + + Ref GCPM250F1-acetone Group Crisenza_G
27 14:52:45 20260131-1452-B400_B.14-27 10 H1_Day w61916tz + + - + + + + Ref CHOCHO ligand Group Schroder_M
21 13:48:08 20260131-1347-B400_B.14-21 10 H1_Day m52750pm + + - + + + + Ref GCPM250F1-repe-2 Group Crisenza_G
20 13:17:14 20260131-1311-B400_B.14-20 11 H1_COSY_Day h68355ac - + - - - + + Ref djp-oc-988-989-is Group Procter_D
20 13:14:09 20260131-1311-B400_B.14-20 10 H1_Day h68355ac + + - + - + + Ref djp-oc-988-989-is Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260131-1311-B400_B.14-20/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260131-1311-B400_B.14-20/10/pdata/1/peaks!
19 13:09:02 20260131-1303-B400_B.14-19 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-735-(b) Group Greaney_M
18 13:03:52 20260131-1302-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-735-(a) Group Greaney_M
7 11:43:16 20260131-1112-B400_B.14-7 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-139 Group Larrosa_I 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
7 11:38:48 20260131-1112-B400_B.14-7 10 H1_Day d93111sd + + - + + + + Ref IL-SD-139 Group Larrosa_I
3 11:34:01 20260131-1111-B400_B.14-3 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-138 Group Larrosa_I 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 11:29:35 20260131-1111-B400_B.14-3 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-138 Group Larrosa_I
2 11:24:50 20260131-1110-B400_B.14-2 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-137 Group Larrosa_I 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 11:19:47 20260131-1110-B400_B.14-2 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-137 Group Larrosa_I
1 11:14:18 20260131-1107-B400_B.14-1 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-136 Group Larrosa_I 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 11:09:46 20260131-1107-B400_B.14-1 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-136 Group Larrosa_I
15 20:02:16 20260130-1919-B400_B.14-15 10 H1_Night z88883sp + + - + + + + Ref SP404d Group Romanov_A First attempt after multiple alumina columns
1 19:47:26 20260130-1843-B400_B.14-1 11 C13_CPD_Night256 m52750pm - + - - - + + Ref GCPM250F1-rep Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 19:42:19 20260130-1843-B400_B.14-1 10 H1_Night m52750pm + + - + + + + Ref GCPM250F1-rep Group Crisenza_G
11 18:50:46 20260130-1608-B400_B.14-11 10 Si29_CPD_Night g36620hh - - - - - - - Ref HH19.0 Group Mills_D
60 18:33:21 20260130-1444-B400_B.14-60 12 C13_CPD_Night256 q50682hk + + - + + + + Ref HK-110-b Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 18:16:37 20260130-1443-B400_B.14-59 12 C13_CPD_Night256 q50682hk + + - + + + + Ref HK-110-a Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 18:12:36 20260130-1608-B400_B.14-11 12 H1_Night g36620hh + + - + + + + Ref HH19.0 Group Mills_D
2 18:07:43 20260130-1807-B400_B.14-2 10 H1_Day z16689fe + + - + + + + Ref DJP FE 258 Group Procter_D
1 18:03:05 20260130-1748-B400_B.14-1 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-691-2 Group Trowbridge_A
58 17:46:05 20260130-1440-B400_B.14-58 12 C13_CPD_Night256 q50682hk + + - + + + + Ref HK-113 Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 17:41:50 20260130-1715-B400_B.14-25 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-689-P1 Group Trowbridge_A
24 17:40:01 20260130-1714-B400_B.14-24 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-122 f18-26 Group James_M 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 17:35:24 20260130-1714-B400_B.14-24 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-122 f18-26 Group James_M
23 17:24:36 20260130-1459-B400_B.14-23 10 H1_Quant_D1_25s_Day j03696rc + + - + + + + Ref RC204.6 Group Shaver_M
22 17:12:50 20260130-1459-B400_B.14-22 10 H1_Quant_D1_25s_Day j03696rc + + - + + + + Ref RC204.5 Group Shaver_M
21 17:00:49 20260130-1459-B400_B.14-21 10 H1_Quant_D1_25s_Day j03696rc + + - + + + + Ref RC204.4 Group Shaver_M
19 16:56:33 20260130-1613-B400_B.14-19 10 H1_Day b37463mo + + - + + + + Ref CS_CO2BDGE_5 Group Shaver_M
18 16:52:17 20260130-1639-B400_B.14-18 10 H1_Day y01348dm + + - + + + + Ref MLT_YJ_RP8_30.1 Group Keerthi_A
17 16:47:50 20260130-1615-B400_B.14-17 10 H1_Day m52750pm + + - + + + + Ref GC_MP007_fr36 Group Crisenza_G
16 16:45:43 20260130-1555-B400_B.14-16 11 H1_Quant_NS1_Day v73981ac - + - - - + + Ref IL-AMN-05-121-CRM Group Larrosa_I
16 16:38:59 20260130-1555-B400_B.14-16 10 F19_Quant_D1_8s_Day v73981ac + + - + + + + Ref IL-AMN-05-121-CRM Group Larrosa_I 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 16:36:52 20260130-1555-B400_B.14-15 11 H1_Quant_NS1_Day v73981ac - + - - - + + Ref IL-AMN-05-120-CRM Group Larrosa_I
15 16:30:00 20260130-1555-B400_B.14-15 10 F19_Quant_D1_8s_Day v73981ac + + - + + + + Ref IL-AMN-05-120-CRM Group Larrosa_I 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 16:25:18 20260130-1518-B400_B.14-10 10 H1_Day z16689fe + + - + + + + Ref DJP FE 257 Group Procter_D
9 16:22:38 20260129-1034-B400_B.14-9 12 F19_CPD_Day z40241jm - + - - - + + Ref DJP-JIM-8-030-1a Group Procter_D 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
9 16:17:41 20260129-1034-B400_B.14-9 11 H1_Day z40241jm + + - + + + + Ref DJP-JIM-8-030-1a Group Procter_D
8 16:13:14 20260130-1453-B400_B.14-8 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aac Group Procter_D
7 16:07:44 20260130-1453-B400_B.14-7 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ap Group Procter_D
6 15:55:59 20260130-1459-B400_B.14-6 10 H1_Quant_D1_25s_Day j03696rc + + - + + + + Ref RC204.3 Group Shaver_M
5 15:44:11 20260130-1459-B400_B.14-5 10 H1_Quant_D1_25s_Day j03696rc + + - + + + + Ref RC204.2 Group Shaver_M
4 15:32:15 20260130-1458-B400_B.14-4 10 H1_Quant_D1_25s_Day j03696rc + + - + + + + Ref RC204.1 Group Shaver_M
3 15:27:47 20260130-1452-B400_B.14-3 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138al Group Procter_D
2 15:23:07 20260130-1452-B400_B.14-2 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aj Group Procter_D
1 15:18:01 20260130-1452-B400_B.14-1 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ah Group Procter_D
60 15:15:30 20260130-1444-B400_B.14-60 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-110-b Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
60 15:11:07 20260130-1444-B400_B.14-60 10 H1_Day q50682hk + + - + + + + Ref HK-110-b Group Willcox_D
59 15:08:57 20260130-1443-B400_B.14-59 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-110-a Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
59 15:04:36 20260130-1443-B400_B.14-59 10 H1_Day q50682hk + + - + + + + Ref HK-110-a Group Willcox_D
58 15:02:12 20260130-1440-B400_B.14-58 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-113 Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
58 14:57:32 20260130-1440-B400_B.14-58 10 H1_Day q50682hk + + - + + + + Ref HK-113 Group Willcox_D
57 14:51:21 20260130-1431-B400_B.14-57 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-135 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
57 14:47:03 20260130-1431-B400_B.14-57 10 H1_Day d93111sd + + - + + + + Ref IL-SD-135 Group Larrosa_I
56 14:30:10 20260130-1134-B400_B.14-56 11 C13_CPD_Night256 y01348dm + + - + + + + Ref DM19-Bottom spot Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 14:22:46 20260130-1349-B400_B.14-30 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-121 F repeat Group James_M 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 14:15:29 20260130-1348-B400_B.14-29 10 F19_Quant_D1_8s_Day a15978el + + - + + + + Ref MJJ EL-04-121 A repeat Group James_M 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 14:10:06 20260130-1345-B400_B.14-28 10 H1_Quant_NS1_Day s52134ad + + - + + + + Ref AJD J76c (c) Group Larrosa_I
26 14:04:20 20260130-1344-B400_B.14-26 10 H1_Quant_NS1_Day s52134ad + + - + + + + Ref AJD J76b (c) Group Larrosa_I
25 13:59:38 20260130-1343-B400_B.14-25 10 H1_Quant_NS1_Day s52134ad + + - + + + + Ref AJD J76a (c) Group Larrosa_I
24 13:44:48 20260130-1135-B400_B.14-24 11 C13_CPD_Night256 y01348dm - + - - - + + Ref DM19- Top spot Group Keerthi_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:40:17 20260130-1135-B400_B.14-24 10 H1_Day y01348dm + + - + + + + Ref DM19- Top spot Group Keerthi_A
18 13:35:50 20260130-1328-B400_B.14-18 10 H1_Day f85241bm + + - + + + + Ref BM1091-2 Group Bures_J
17 13:31:35 20260130-1259-B400_B.14-17 10 H1_Day a77256kr + + - + + + + Ref CAPG_KMRM_020c Group Goodwin_C
16 13:27:07 20260130-1245-B400_B.14-16 10 H1_Day z88883sp + + - + + + + Ref SP404c Group Romanov_A Excess LMCl attempt
15 13:22:35 20260130-1239-B400_B.14-15 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-695-iso Group Trowbridge_A
13 13:18:05 20260129-1455-B400_B.14-13 12 H1_Day p10102hz + + - + + + + Ref zhb-a-138x Group Procter_D
12 13:13:12 20260129-1455-B400_B.14-12 11 H1_Day p10102hz + + - + + + + Ref zhb-a-138u Group Procter_D
11 13:09:57 20260130-1235-B400_B.14-11 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-129-8 Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11 13:05:41 20260130-1235-B400_B.14-11 10 H1_Day q50682hk + + - + + + + Ref HK-129-8 Group Willcox_D
10 13:02:54 20260130-1235-B400_B.14-10 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-129-6 Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
10 12:58:23 20260130-1235-B400_B.14-10 10 H1_Day q50682hk + + - + + + + Ref HK-129-6 Group Willcox_D
8 12:53:43 20260130-1235-B400_B.14-8 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-129-4 Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
8 12:49:06 20260130-1235-B400_B.14-8 10 H1_Day q50682hk + + - + + + + Ref HK-129-4 Group Willcox_D
7 12:43:18 20260130-1232-B400_B.14-7 10 H1_Day f85241bm + + - + + + + Ref BM1094-1 Group Bures_J crude
6 12:38:47 20260130-1229-B400_B.14-6 10 H1_Day j83970qc + + - + + + + Ref qc e744 p5 Group DeBo_G
5 12:34:18 20260130-1153-B400_B.14-5 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aj Group Procter_D
4 12:29:28 20260130-1153-B400_B.14-4 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ah Group Procter_D
3 12:24:26 20260130-1153-B400_B.14-3 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ad Group Procter_D
2 12:19:00 20260130-1156-B400_B.14-2 10 H1_Day j40457bh + + - + + + + Ref bh ah 244 c1fr30+ Group Trowbridge_A
1 12:13:29 20260130-1156-B400_B.14-1 10 H1_Day j40457bh + + - + + + + Ref bh ah 247 c1 fr10-12 Group Trowbridge_A
60 12:09:12 20260130-1152-B400_B.14-60 10 H1_Day m52750pm + + - + + + + Ref GCPM249cr Group Crisenza_G
59 12:04:26 20260130-1149-B400_B.14-59 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138g Group Procter_D
58 11:58:59 20260130-1149-B400_B.14-58 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138e Group Procter_D
57 11:54:18 20260130-1149-B400_B.14-57 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138d Group Procter_D
56 11:49:14 20260130-1134-B400_B.14-56 10 H1_Day y01348dm + + - + + + + Ref DM19-Bottom spot Group Keerthi_A
42 11:44:26 20260130-1131-B400_B.14-42 11 F19_Quant_D1_8s_Day s52134ad - + - - - + + Ref AJD J67c (stock 2 week) Group Larrosa_I
42 11:40:27 20260130-1131-B400_B.14-42 10 H1_Quant_NS1_Day s52134ad + + - + - + + Ref AJD J67c (stock 2 week) 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/s52134ad/nmr/20260130-1131-B400_B.14-42/10/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/s52134ad/nmr/20260130-1131-B400_B.14-42/10/pdata/1/peaks!
41 11:34:59 20260130-1130-B400_B.14-41 11 F19_Quant_D1_8s_Day s52134ad - + - - - + + Ref AJD J67a (stock 1 week) Group Larrosa_I
41 11:31:41 20260130-1130-B400_B.14-41 10 H1_Quant_NS1_Day s52134ad + + - + - + + Ref AJD J67a (stock 1 week) 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/s52134ad/nmr/20260130-1130-B400_B.14-41/10/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/s52134ad/nmr/20260130-1130-B400_B.14-41/10/pdata/1/peaks!
40 11:09:21 20260130-0938-B400_B.14-40 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-17e Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0938-B400_B.14-40/10/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0938-B400_B.14-40/10/pdata/1/peaks!
39 11:04:11 20260130-0938-B400_B.14-39 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-17d Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0938-B400_B.14-39/10/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0938-B400_B.14-39/10/pdata/1/peaks!
35 10:59:40 20260130-0938-B400_B.14-35 10 F19_NoCPD_Day c62220rg + + - + + + + Ref at-rg-6-17c Group Trowbridge_A 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
34 10:55:09 20260130-0938-B400_B.14-34 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-18c Group Trowbridge_A
33 10:50:33 20260130-1047-B400_B.14-33 10 H1_Day e72206ov + + - + + + + Ref ov-01-a f1 Group DeBo_G
32 10:46:23 20260130-1038-B400_B.14-32 10 H1_Day w61916tz + + - + + + + Ref oba Group Schroder_M
31 10:41:38 20260130-1024-B400_B.14-31 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-039-C Group Greaney_M
30 10:35:55 20260130-1024-B400_B.14-30 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-038-C Group Greaney_M
29 10:33:44 20260130-0937-B400_B.14-29 11 H1_Day c62220rg - + - - - + + Ref at-rg-6-18b Group Trowbridge_A
29 10:29:19 20260130-0937-B400_B.14-29 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-18b Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0937-B400_B.14-29/10/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0937-B400_B.14-29/10/pdata/1/peaks!
28 10:27:07 20260130-0937-B400_B.14-28 11 H1_Day c62220rg - + - - - + + Ref at-rg-6-18a Group Trowbridge_A
28 10:22:44 20260130-0937-B400_B.14-28 10 P31_Wide_Day c62220rg + + - + + + + Ref at-rg-6-18a Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0937-B400_B.14-28/10/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0937-B400_B.14-28/10/pdata/1/peaks!
26 10:17:55 20260130-1002-B400_B.14-26 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-132 Group Larrosa_I 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 10:12:47 20260130-1002-B400_B.14-26 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-132 Group Larrosa_I
25 10:07:50 20260130-1000-B400_B.14-25 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-128 Group Larrosa_I 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 10:02:24 20260130-1000-B400_B.14-25 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-128 Group Larrosa_I
24 10:00:06 20260130-0936-B400_B.14-24 12 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-17b Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0936-B400_B.14-24/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0936-B400_B.14-24/12/pdata/1/peaks!
24 09:56:01 20260130-0936-B400_B.14-24 11 F19_NoCPD_Day c62220rg + + - + + + + Ref at-rg-6-17b Group Trowbridge_A 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
23 09:53:39 20260130-0936-B400_B.14-23 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-17a Group Trowbridge_A sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0936-B400_B.14-23/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Trowbridge_A/data/c62220rg/nmr/20260130-0936-B400_B.14-23/11/pdata/1/peaks!
23 09:49:32 20260130-0936-B400_B.14-23 10 F19_NoCPD_Day c62220rg + + - + + + + Ref at-rg-6-17a Group Trowbridge_A 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
22 09:45:20 20260130-0926-B400_B.14-22 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4022-c60v2 Group Riddell_I
21 09:40:45 20260130-0925-B400_B.14-21 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-733 Group Greaney_M
20 09:35:57 20260130-0925-B400_B.14-20 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-732-(c) Group Greaney_M
19 09:31:33 20260130-0925-B400_B.14-19 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-732-(b) Group Greaney_M
18 09:25:03 20260130-0924-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-732-(a) Group Greaney_M
33 09:18:14 20260130-0915-B400_B.14-33 10 H1_Day h68355ac + + - + + + + Ref djp-oc-984-ac-s2 Group Procter_D
32 09:13:44 20260130-0909-B400_B.14-32 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-11 complexation Group Riddell_I
31 09:08:48 20260130-0814-B400_B.14-31 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-131 Group Larrosa_I 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 09:03:38 20260130-0814-B400_B.14-31 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-131 Group Larrosa_I
27 08:58:51 20260130-0813-B400_B.14-27 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-130 Group Larrosa_I 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 08:54:06 20260130-0813-B400_B.14-27 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-130 Group Larrosa_I
26 08:48:31 20260130-0812-B400_B.14-26 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-129 Group Larrosa_I 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 08:43:06 20260130-0812-B400_B.14-26 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-129 Group Larrosa_I
25 08:37:48 20260130-0810-B400_B.14-25 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-134 Group Larrosa_I 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
25 08:32:50 20260130-0810-B400_B.14-25 10 H1_Day d93111sd + + - + + + + Ref IL-SD-134 Group Larrosa_I
24 08:27:28 20260130-0755-B400_B.14-24 11 H1_Day m14269jw + + - + + + + Ref IR-JW-4022-Cholv2 Group Riddell_I
23 08:23:05 20260130-0755-B400_B.14-23 12 H1_Day m14269jw + + - + + + + Ref IR-JW-4022-C60v2 Group Riddell_I
22 08:09:21 20260130-0754-B400_B.14-22 10 H1_Night128 m14269jw + + - + + + + Ref IR-JW-4022-Perylenev2 Group Riddell_I
21 07:55:36 20260130-0754-B400_B.14-21 10 H1_Night128 m14269jw + + - + + + + Ref IR-JW-4022-BaPv2 Group Riddell_I
1 22:41:09 20260129-2210-B400_B.14-1 13 H1_C13_HSQC_US_Night a74776dr - + - - - + + Ref DJP-DR-1-470-cr Group Procter_D
1 22:32:42 20260129-2210-B400_B.14-1 12 C13_DEPT135_Night a74776dr - + - - - + + Ref DJP-DR-1-470-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 22:18:15 20260129-2210-B400_B.14-1 11 C13_CPD_Night256 a74776dr - + - - - + + Ref DJP-DR-1-470-cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1 22:13:00 20260129-2210-B400_B.14-1 10 H1_Night a74776dr + + - + + + + Ref DJP-DR-1-470-cr Group Procter_D
44 21:37:10 20260129-2039-B400_B.14-44 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296-3 Group Procter_D
43 21:32:24 20260129-2038-B400_B.14-43 10 H1_Day q62112nk + + - + + + + Ref djp-nk-296-2 Group Procter_D
5 21:27:22 20260129-2024-B400_B.14-5 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-175 Group DeBo_G
4 21:22:54 20260129-1955-B400_B.14-4 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-685-F22 Group Trowbridge_A
3 21:18:24 20260129-1902-B400_B.14-3 10 H1_Night z88883sp + + - + + + + Ref SP404b1 Group Romanov_A Sample after time in CDCl3
2 21:13:38 20260129-1902-B400_B.14-2 10 H1_Night z88883sp + + - + + + + Ref SP402 Group Romanov_A
53 21:09:16 20260129-1851-B400_B.14-53 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-styrylbacid Group Procter_D
52 21:05:03 20260129-1850-B400_B.14-52 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-pentenylbacid Group Procter_D
51 21:00:18 20260129-1850-B400_B.14-51 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-4nitrophenylbacid Group Procter_D
47 20:56:02 20260129-1847-B400_B.14-47 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-benzothiphene Group Procter_D
46 20:51:50 20260129-1846-B400_B.14-46 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-1naphthylbacid Group Procter_D
45 20:47:00 20260129-1845-B400_B.14-45 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-2formylbacid Group Procter_D
42 20:37:50 20260129-1655-B400_B.14-42 10 H1_Quant_Night j03696rc + + - + + + + Ref RC203.5 Group Shaver_M
38 20:28:46 20260129-1655-B400_B.14-38 10 H1_Quant_Night j03696rc + + - + + + + Ref RC203.4 Group Shaver_M
1 20:16:06 20260129-1357-B400_B.14-1 12 H1_C13_HSQC_US_Night v73981ac - + - - - + + Ref ILAC168C Group Larrosa_I
1 18:55:02 20260129-1357-B400_B.14-1 11 H1_COSY_NS32_Night v73981ac + + - + + + + Ref ILAC168C Group Larrosa_I
44 18:50:14 20260129-1834-B400_B.14-44 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-125 Group Larrosa_I 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 18:46:00 20260129-1834-B400_B.14-44 10 H1_Day d93111sd + + - + + + + Ref IL-SD-125 Group Larrosa_I
43 18:42:16 20260129-1827-B400_B.14-42 10 H1_Quant_NS1_Day z40241jm + + - + + + + Ref DJP-JIM-8-028-1i Group Procter_D
41 18:38:21 20260129-1827-B400_B.14-41 10 H1_Quant_NS1_Day z40241jm + + - + + + + Ref DJP-JIM-8-028-1h Group Procter_D
40 18:34:09 20260129-1827-B400_B.14-40 10 H1_Quant_NS1_Day z40241jm + + - + + + + Ref DJP-JIM-8-028-1g Group Procter_D
39 18:30:09 20260129-1827-B400_B.14-39 10 H1_Quant_NS1_Day z40241jm + + - + + + + Ref DJP-JIM-8-028-1f Group Procter_D
37 18:21:34 20260129-1655-B400_B.14-37 10 H1_Quant_Night j03696rc + + - + + + + Ref RC203.3 Group Shaver_M
36 18:12:56 20260129-1655-B400_B.14-36 10 H1_Quant_Night j03696rc + + - + + + + Ref RC203.2 Group Shaver_M
44 18:08:14 20260129-1749-B400_B.14-44 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-691-1 Group Trowbridge_A
43 18:03:27 20260129-1728-B400_B.14-43 10 H1_Day j40457bh + + - + + + + Ref bhah244 c1fr24+ Group Trowbridge_A
41 17:58:49 20260129-1728-B400_B.14-41 10 H1_Day j40457bh + + - + + + + Ref bhah257 Group Trowbridge_A
40 17:54:50 20260129-1729-B400_B.14-40 10 H1_Day j40457bh + + - + + + + Ref bhah256 Group Trowbridge_A
39 17:51:43 20260129-1713-B400_B.14-39 10 H1_Day h68355ac + + - + - + + Ref djp-oc-984-ac-meod Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260129-1713-B400_B.14-39/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260129-1713-B400_B.14-39/10/pdata/1/peaks!
35 17:46:20 20260129-1705-B400_B.14-35 10 H1_Day z40241jm + + - + + + + Ref DJP-JIM-8-023-1a Group Procter_D
34 17:44:01 20260129-1648-B400_B.14-34 13 P31_CPD_Day q50682hk - + - - - + + Ref HK-127-pClligand Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34 17:41:24 20260129-1648-B400_B.14-34 12 Li7_CPD_Day q50682hk - + - - - + + Ref HK-127-pClligand Group Willcox_D sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260129-1648-B400_B.14-34/12/pdata/1/peaks!, sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260129-1648-B400_B.14-34/12/pdata/1/peaks!
34 17:38:09 20260129-1648-B400_B.14-34 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-127-pClligand 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/q50682hk/nmr/20260129-1648-B400_B.14-34/11/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/q50682hk/nmr/20260129-1648-B400_B.14-34/11/pdata/1/peaks!
34 17:33:45 20260129-1648-B400_B.14-34 10 H1_Day q50682hk + + - + + + + Ref HK-127-pClligand Group Willcox_D
33 17:31:24 20260129-1647-B400_B.14-33 13 P31_CPD_Day q50682hk - + - - - + + Ref HK-126_lithiumetherate Group Willcox_D sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260129-1647-B400_B.14-33/13/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260129-1647-B400_B.14-33/13/pdata/1/peaks!
33 17:28:47 20260129-1647-B400_B.14-33 12 Li7_CPD_Day q50682hk - + - - - + + Ref HK-126_lithiumetherate Group Willcox_D sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260129-1647-B400_B.14-33/12/pdata/1/peaks!, sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20260129-1647-B400_B.14-33/12/pdata/1/peaks!
33 17:25:23 20260129-1647-B400_B.14-33 11 B11_CPD_Day q50682hk - + - - - + + Ref HK-126_lithiumetherate 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/q50682hk/nmr/20260129-1647-B400_B.14-33/11/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/q50682hk/nmr/20260129-1647-B400_B.14-33/11/pdata/1/peaks!
33 17:21:19 20260129-1647-B400_B.14-33 10 H1_Day q50682hk + + - + + + + Ref HK-126_lithiumetherate Group Willcox_D
32 17:14:31 20260129-1644-B400_B.14-32 10 F19_Quant_D1_8s_Day v73981ac + + - + + + + Ref IL-AMN-05-119-CRM Group Larrosa_I 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 17:07:19 20260129-1644-B400_B.14-31 10 F19_Quant_D1_8s_Day v73981ac + + - + + + + Ref IL-AMN -05-118-CRM Group Larrosa_I 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 17:02:46 20260129-1641-B400_B.14-30 10 H1_Day p10102hz + + - + + + + Ref JDR15F2 Group Procter_D
29 16:58:12 20260129-1641-B400_B.14-29 10 H1_Day p10102hz + + - + + + + Ref JDR15F1 Group Procter_D
28 16:53:33 20260129-1524-B400_B.14-28 10 H1_Day b37463mo + + - + + + + Ref JM-3 Group Shaver_M
27 16:49:04 20260129-1627-B400_B.14-27 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-685-P1-F18 Group Trowbridge_A
26 16:44:35 20260129-1614-B400_B.14-26 10 H1_Day h68355ac + + - + + + + Ref djp-oc-984-ac Group Procter_D
25 16:40:06 20260129-1553-B400_B.14-25 10 H1_Day h91839em + + - + + + + Ref gc em 239 Group Crisenza_G
24 16:35:44 20260129-1522-B400_B.14-24 11 H1_WaterSupp_Day b37463mo - + - - - + + Ref JM-1 Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 16:31:17 20260129-1522-B400_B.14-24 10 H1_Day b37463mo + + - + + + + Ref JM-1 Group Shaver_M
23 16:29:09 20260129-1521-B400_B.14-23 11 P31_CPD_Day b37463mo - + - - - + + Ref FR1-F4 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
23 16:18:05 20260129-1521-B400_B.14-23 10 H1_Quant_D1_25s_Day b37463mo + + - + + + + Ref FR1-F4 Group Shaver_M
22 16:15:59 20260129-1520-B400_B.14-22 11 P31_CPD_Day b37463mo - + - - - + + Ref FR1-E4 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
22 16:04:22 20260129-1520-B400_B.14-22 10 H1_Quant_D1_25s_Day b37463mo + + - + + + + Ref FR1-E4 Group Shaver_M
21 15:59:37 20260129-1549-B400_B.14-21 10 H1_Day m52750pm + + - + + + + Ref GC_MP002_? Group Crisenza_G
20 15:55:12 20260129-1545-B400_B.14-20 10 H1_Day p10102hz + + - + + + + Ref JDR17 Group Procter_D
19 15:51:48 20260129-1529-B400_B.14-19 10 H1_Quant_NS1_Day s52134ad + + - + - + + Ref AJD J72a (stock) 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/s52134ad/nmr/20260129-1529-B400_B.14-19/10/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/s52134ad/nmr/20260129-1529-B400_B.14-19/10/pdata/1/peaks!
18 15:49:32 20260129-1518-B400_B.14-18 11 P31_CPD_Day b37463mo - + - - - + + Ref FR1-D4 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
18 15:38:17 20260129-1518-B400_B.14-18 10 H1_Quant_D1_25s_Day b37463mo + + - + + + + Ref FR1-D4 Group Shaver_M
17 15:27:19 20260129-1517-B400_B.14-17 10 H1_Quant_D1_25s_Day b37463mo + + - + + + + Ref FR1-C4 Group Shaver_M
16 15:22:14 20260129-1515-B400_B.14-16 10 P31_CPD_Day b37463mo + + - + + + + Ref polycarbonate Group Shaver_M sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/b37463mo/nmr/20260129-1515-B400_B.14-16/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/b37463mo/nmr/20260129-1515-B400_B.14-16/10/pdata/1/peaks!
15 15:17:26 20260129-1502-B400_B.14-15 10 H1_Day a74776dr + + - + + + + Ref djp-muze Group Procter_D
14 15:09:16 20260129-1455-B400_B.14-14 10 H1_Quant_NS1_Day s52134ad + + - x - - - Ref AJD J67c (stock 2 weeks) Group Larrosa_I Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
13 15:07:14 20260129-1455-B400_B.14-13 10 H1_Quant_NS1_Day s52134ad + + - x - - - Ref AJD J67a (stock 1 week) Group Larrosa_I Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
12 15:05:11 20260129-1455-B400_B.14-12 10 H1_Quant_NS1_Day s52134ad - - - - - - - Ref AJD J72a (stock, 2 days) Group Larrosa_I
11 14:59:52 20260129-1454-B400_B.14-11 10 H1_Day z86427mk + + - + + + + Ref MK-291 F29 Group Procter_D
10 14:55:09 20260129-1453-B400_B.14-10 10 H1_Day z86427mk + + - + + + + Ref MK-291 F23 Group Procter_D
7 14:42:35 20260129-1435-B400_B.14-7 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-113 Group James_M
6 14:37:40 20260129-1435-B400_B.14-6 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-112 Group James_M
5 14:32:58 20260129-1432-B400_B.14-5 10 H1_Day m52750pm + + - + + + + Ref GC_MP005 Group Crisenza_G
1 14:13:41 20260129-1357-B400_B.14-1 10 H1_Night v73981ac + + - + + + + Ref ILAC168C Group Larrosa_I
60 14:08:46 20260129-1350-B400_B.14-60 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-94-b3 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
60 14:04:34 20260129-1350-B400_B.14-60 10 H1_Day d93111sd + + - + + + + Ref IL-SD-94-b3 Group Larrosa_I
59 13:58:43 20260129-1348-B400_B.14-59 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-124 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
59 13:54:27 20260129-1348-B400_B.14-59 10 H1_Day d93111sd + + - + + + + Ref IL-SD-124 Group Larrosa_I
58 13:49:14 20260129-1340-B400_B.14-58 10 H1_Day z86427mk + + - + + + + Ref MK-291 F24-28 Group Procter_D
57 13:44:42 20260129-1334-B400_B.14-57 10 H1_Day h68355ac + + - + + + + Ref djp-oc-984-is Group Procter_D
56 13:40:40 20260129-1305-B400_B.14-56 10 H1_Day b37463mo + + - + + + + Ref MA11_f Group Shaver_M 48hr at 180C
55 13:36:30 20260129-1304-B400_B.14-55 10 H1_Day b37463mo + + - + + + + Ref MA11_e Group Shaver_M 24hr at 180C
54 13:32:11 20260129-1304-B400_B.14-54 10 H1_Day b37463mo + + - + + + + Ref MA11_d Group Shaver_M 16hr at 180C
50 13:27:47 20260129-1303-B400_B.14-50 10 H1_Day b37463mo + + - + + + + Ref MA11_c Group Shaver_M 4hr at 180C
49 13:23:32 20260129-1303-B400_B.14-49 10 H1_Day b37463mo + + - + + + + Ref MA11_b Group Shaver_M 2hr at 180C
48 13:20:21 20260129-1302-B400_B.14-48 10 H1_ExtraWide_Day b37463mo + + - + + + + Ref MA11_a Group Shaver_M 1hr at 180C
35 13:15:27 20260129-1311-B400_B.14-35 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-checkrxn Group Procter_D
34 13:11:24 20260129-1247-B400_B.14-34 10 H1_Day g23544jd + + - + + + + Ref MJJ-JDL-D Pip Ph Group James_M
33 13:07:02 20260129-1247-B400_B.14-33 10 H1_Day g23544jd + + - + + + + Ref MJJ-JDL-H Pip Ph Group James_M
32 13:03:24 20260129-1246-B400_B.14-32 10 H1_Quant_NS1_Day g23544jd + + - + + + + Ref MJJ-JDL-C2 OG-elisa rep Group James_M
31 12:59:05 20260129-1243-B400_B.14-31 10 H1_Quant_NS1_Day c46714th + + - + x + + Ref ED-03-003-x Group James_M topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/James_M/data/c46714th/nmr/20260129-1243-B400_B.14-31/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/James_M/data/c46714th/nmr/20260129-1243-B400_B.14-31/10/pdata/1/peaks!
30 12:42:16 20260129-1207-B400_B.14-30 11 C13_CPD_Night256 v73981ac + + - + + + + Ref ILAC168C-pure Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33 12:37:34 20260129-1231-B400_B.14-33 10 H1_Day m52750pm + + - + + + + Ref GCPM247cr Group Crisenza_G
32 12:32:38 20260129-1225-B400_B.14-32 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-694-iso Group Trowbridge_A
31 12:28:21 20260129-1220-B400_B.14-31 10 H1_Day p10102hz + + - + + + + Ref JDR14col Group Procter_D
30 12:23:46 20260129-1207-B400_B.14-30 10 H1_Day v73981ac + + - + + + + Ref ILAC168C-pure Group Larrosa_I
29 12:19:11 20260129-1151-B400_B.14-29 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4009-Chol-QualCheck Group Riddell_I
28 12:14:46 20260129-1151-B400_B.14-28 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4008-Chol-QualCheck Group Riddell_I
27 12:10:31 20260129-1150-B400_B.14-27 10 H1_Day m14269jw + + - + + + + Ref IR-JW-3097-Chol-QualCheck Group Riddell_I
26 12:05:45 20260129-1147-B400_B.14-26 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-120 Group James_M
25 12:00:49 20260129-1136-B400_B.14-25 12 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-10-p1 Group Trowbridge_A 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 11:58:14 20260129-1136-B400_B.14-25 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-10-p1 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
25 11:53:14 20260129-1136-B400_B.14-25 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-10-p1 Group Trowbridge_A
24 11:48:45 20260129-1130-B400_B.14-24 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai-3 Group Procter_D
23 11:44:08 20260129-1130-B400_B.14-23 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai-2 Group Procter_D
22 11:39:22 20260129-1130-B400_B.14-22 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai Group Procter_D
21 11:34:52 20260129-1122-B400_B.14-21 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-731-(d) Group Greaney_M
20 11:30:36 20260129-1122-B400_B.14-20 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-731-(c) Group Greaney_M
19 11:26:13 20260129-1121-B400_B.14-19 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-731-(b) Group Greaney_M
18 11:21:52 20260129-1121-B400_B.14-18 10 H1_Day h68355ac + + - + + + + Ref MFG-AC-731-(a) Group Greaney_M
8 11:11:02 20260129-1058-B400_B.14-8 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai-5 Group Procter_D
7 11:06:06 20260129-1058-B400_B.14-7 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai-4 Group Procter_D
6 11:01:18 20260129-1058-B400_B.14-6 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai-1 Group Procter_D
5 10:56:40 20260129-1056-B400_B.14-5 10 H1_Day u67812sg + + - + + + + Ref sq-2-24-1-37+ Group Procter_D
9 10:45:03 20260129-1034-B400_B.14-9 10 H1_Day u67812sg - - - - - - - Ref sq-2-24-1-37+ Group Procter_D
8 10:40:35 20260129-1034-B400_B.14-8 10 H1_Day u67812sg + + - + + + + Ref sq-2-24-1-14,24 Group Procter_D
7 10:36:34 20260129-1033-B400_B.14-7 10 H1_Day u67812sg + + - + + + + Ref sq-2-24-1-7,13 Group Procter_D
6 10:12:36 20260129-0955-B400_B.14-6 10 H1_Day z86427mk + + - + + + + Ref MK-288-C C2 F18 Group Procter_D
5 10:07:51 20260129-0955-B400_B.14-5 10 H1_Day z86427mk + + - + + + + Ref MK-288-C C2 F16 Group Procter_D
4 10:03:02 20260129-0953-B400_B.14-4 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai-1 Group Procter_D
3 09:58:33 20260129-0953-B400_B.14-3 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138ai Group Procter_D
2 09:53:17 20260129-0953-B400_B.14-2 10 H1_Day p10102hz + + - + + + + Ref zhb-a-138aad Group Procter_D
1 08:53:38 20260129-0849-B400_B.14-1 11 H1_Quant_D1_25s_Day v73981ac - + - - - + + Ref ILAC169B 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/20260129-0849-B400_B.14-1/11/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/20260129-0849-B400_B.14-1/11/pdata/1/peaks!
1 08:50:08 20260129-0849-B400_B.14-1 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC169B 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/20260129-0849-B400_B.14-1/10/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/20260129-0849-B400_B.14-1/10/pdata/1/peaks!
53 08:35:01 20260129-0834-B400_B.14-53 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4015-LL-QualCheck Group Riddell_I
56 08:10:23 20260129-0753-B400_B.14-56 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-120 Group Larrosa_I 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
56 08:05:49 20260129-0753-B400_B.14-56 10 H1_Day d93111sd + + - + + + + Ref IL-SD-120 Group Larrosa_I
55 08:00:03 20260129-0752-B400_B.14-55 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-127 Group Larrosa_I 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
55 07:55:44 20260129-0752-B400_B.14-55 10 H1_Day d93111sd + + - + + + + Ref IL-SD-127 Group Larrosa_I
54 07:43:59 20260129-0738-B400_B.14-54 11 H1_Night128 m14269jw - + - - - + + Ref IR-JW-4025-SNC-C6 Group Riddell_I
54 07:39:28 20260129-0738-B400_B.14-54 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4025-SNC-C6 Group Riddell_I
4 23:58:13 20260128-1932-B400_B.14-4 10 H1_Night128 M14042YW + + - + + + + Ref YW-T770 Group Shaver_M
3 23:44:22 20260128-1931-B400_B.14-3 10 H1_Night128 M14042YW + + - + + + + Ref YW-3-g-3-LT Group Shaver_M
2 23:30:14 20260128-1931-B400_B.14-2 10 H1_Night128 M14042YW + + - + + + + Ref YW-3-g-2-LT Group Shaver_M
1 23:15:54 20260128-1930-B400_B.14-1 10 H1_Night128 M14042YW + + - + + + + Ref YW-3-g-1-LT Group Shaver_M
31 23:01:29 20260128-1928-B400_B.14-31 11 C13_CPD_Night256 h91839em - + - - - + + Ref gc em 239 C Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31 22:56:58 20260128-1928-B400_B.14-31 10 H1_Night h91839em + + - + + + + Ref gc em 239 C Group Crisenza_G
30 22:48:29 20260128-1926-B400_B.14-30 12 C13_DEPT135_Night h91839em - + - - - + + Ref gc em 237 F1.2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 22:34:04 20260128-1926-B400_B.14-30 11 C13_CPD_Night256 h91839em - + - - - + + Ref gc em 237 F1.2 Group Crisenza_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30 22:29:34 20260128-1926-B400_B.14-30 10 H1_Night h91839em + + - + + + + Ref gc em 237 F1.2 Group Crisenza_G
28 22:25:01 20260128-1647-B400_B.14-28 10 H1_Night y01348dm + + - + + + + Ref ax_01_b2 Group Keerthi_A
27 22:01:24 20260128-1644-B400_B.14-27 16 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-112 f30-50 Group James_M
27 21:43:00 20260128-1644-B400_B.14-27 15 H1_C13_HMBC_US_Night a15978el - + - - - + + Ref MJJ EL-04-112 f30-50 Group James_M
27 21:31:48 20260128-1644-B400_B.14-27 14 C13_DEPT135_Night a15978el + + - + + + + Ref MJJ EL-04-112 f30-50 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 20:02:07 20260128-1559-B400_B.14-51 10 F19_CPD_Night_1024 mbdxkrn2 + + - + + + + Ref GDB-RN1624-1 Et2O-precipitated polymer - C6D6 Group DeBo_G 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
5 19:44:05 20260128-1532-B400_B.14-5 11 C13_CPD_Night256 z16689fe + + - + + + + Ref DJP FE Ph(CH2)2OH Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 19:20:28 20260128-1642-B400_B.14-26 17 H1_C13_HSQCed_Night a15978el - + - - - + + Ref MJJ EL-04-119 P1 Group James_M
26 18:59:59 20260128-1642-B400_B.14-26 16 H1_C13_HMBC_US_Night a15978el + + - + + + + Ref MJJ EL-04-119 P1 Group James_M
27 18:45:10 20260128-1644-B400_B.14-27 13 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-112 f30-50 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 18:33:20 20260128-1644-B400_B.14-27 12 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-112 f30-50 Group James_M
27 18:31:09 20260128-1644-B400_B.14-27 11 F19_NoCPD_Day a15978el - + - - - + + Ref MJJ EL-04-112 f30-50 Group James_M 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 18:26:38 20260128-1644-B400_B.14-27 10 H1_Night a15978el + + - + + + + Ref MJJ EL-04-112 f30-50 Group James_M
26 18:22:06 20260128-1642-B400_B.14-26 15 H1_Night a15978el + + - + + + + Ref MJJ EL-04-119 P1 Group James_M
29 18:17:33 20260128-1812-B400_B.14-29 10 H1_Day z88883sp + + - + + + + Ref SP403 Group Romanov_A Columned
26 18:05:40 20260128-1642-B400_B.14-26 14 H1_COSY_HiRes_Night a15978el - + - - - + + Ref MJJ EL-04-119 P1 Group James_M
26 17:57:13 20260128-1642-B400_B.14-26 13 C13_DEPT135_Night a15978el - + - - - + + Ref MJJ EL-04-119 P1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:42:24 20260128-1642-B400_B.14-26 12 C13_CPD_Night256 a15978el - + - - - + + Ref MJJ EL-04-119 P1 Group James_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 17:38:15 20260128-1642-B400_B.14-26 11 F19_NoCPD_Day a15978el + + - + + + + Ref MJJ EL-04-119 P1 Group James_M 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 17:33:34 20260128-1729-B400_B.14-29 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-689cr Group Trowbridge_A
26 17:29:09 20260128-1642-B400_B.14-26 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-119 P1 Group James_M
30 17:26:09 20260128-1708-B400_B.14-30 10 H1_Day h68355ac + + - + - + + Ref djp-oc-967-ac-meod Group Procter_D pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260128-1708-B400_B.14-30/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Greaney_M/data/h68355ac/nmr/20260128-1708-B400_B.14-30/10/pdata/1/peaks!
29 17:21:56 20260128-1632-B400_B.14-29 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-cyclohexylbacid Group Procter_D
25 17:17:19 20260128-1629-B400_B.14-25 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-isooxaoleacid Group Procter_D
24 17:12:55 20260128-1629-B400_B.14-24 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-furan2acid Group Procter_D
23 17:08:07 20260128-1629-B400_B.14-23 10 H1_Day p10102hz + + - + + + + Ref DJP-SS-thiophene2acid Group Procter_D
22 17:00:35 20260128-1602-B400_B.14-22 10 F19_Quant_D1_8s_Day s52134ad + + - + + + + Ref IL-AMN-05-117-CRM Group Larrosa_I 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 16:53:50 20260128-1601-B400_B.14-21 10 F19_Quant_D1_8s_Day s52134ad + + - + + + + Ref IL-AMN-05-116-CRM Group Larrosa_I 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 16:48:54 20260128-1553-B400_B.14-20 10 H1_Day z88883sp + + - + + + + Ref Py-P3 Group Romanov_A
19 16:44:25 20260128-1553-B400_B.14-19 10 H1_Day z88883sp + + - + + + + Ref Py-P2 Group Romanov_A
18 16:39:29 20260128-1552-B400_B.14-18 10 H1_Day z88883sp + + - + + + + Ref Py-P1 Group Romanov_A
17 16:34:55 20260128-1548-B400_B.14-17 10 H1_Day p10102hz + + - + + + + Ref JDR16 Group Procter_D
16 16:30:08 20260128-1548-B400_B.14-16 10 H1_Day p10102hz + + - + + + + Ref JDR15 Group Procter_D
15 16:25:38 20260128-1548-B400_B.14-15 10 H1_Day p10102hz + + - + + + + Ref JDR13col Group Procter_D
14 16:16:19 20260128-1524-B400_B.14-14 10 H1_Quant_NS1_Day j03696rc + + - + x + + Ref RC202.3 Group Shaver_M topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
13 16:11:36 20260128-1524-B400_B.14-13 10 H1_Quant_NS1_Day j03696rc + + - + + + + Ref RC202.2 Group Shaver_M
12 16:07:02 20260128-1524-B400_B.14-12 10 H1_Quant_NS1_Day j03696rc + + - + + + + Ref RC202.1 Group Shaver_M
11 16:02:32 20260128-1542-B400_B.14-11 10 H1_Day z86427mk + + - + + + + Ref mk-288c f12 Group Procter_D
10 15:58:16 20260128-1542-B400_B.14-10 10 H1_Day z86427mk + + - + + + + Ref mk-288c f11 Group Procter_D
9 15:53:39 20260128-1541-B400_B.14-9 10 H1_Day z86427mk + + - + + + + Ref djp-muze Group Procter_D
8 15:49:11 20260128-1521-B400_B.14-8 10 H1_Quant_NS1_Day j03696rc + + - + + + + Ref RC199.2b Group Shaver_M
7 15:45:18 20260128-1521-B400_B.14-7 10 H1_Quant_NS1_Day j03696rc + + - + + + + Ref RC199.1c Group Shaver_M
6 15:40:46 20260128-1521-B400_B.14-6 10 H1_Quant_NS1_Day j03696rc + + - + + + + Ref RC199.1b Group Shaver_M
5 15:35:17 20260128-1532-B400_B.14-5 10 H1_Day z16689fe + + - + + + + Ref DJP FE Ph(CH2)2OH Group Procter_D
4 15:31:05 20260128-1517-B400_B.14-4 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-469-cr Group Procter_D
3 15:26:26 20260128-1517-B400_B.14-3 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-468-cr Group Procter_D
2 15:22:29 20260128-1517-B400_B.14-2 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-467-cr Group Procter_D
1 15:18:16 20260128-1517-B400_B.14-1 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-1-466-cr Group Procter_D