Icon NMR logo

IconNMR Automation Run Status:
Day Experiments: 00:10
Busy Until: Sun 16:15
Night Experiments: 00:20

Setup List
Holder Status Name ExpNo Experiment User Time Title
1 Completed 20260331-1039-B400_B.12-1 13 N H1_make_shim.icon Use sucrose sample. Generates shim.icon file after 3d shimming service 00:00:05 Ref sucrose shim Group Service
1 Submitted 20260331-1039-B400_B.12-1 14 N H1_make_shim.icon Use sucrose sample. Generates shim.icon file after 3d shimming service 00:00:05 Ref sucrose shim Group Service
1 Submitted 20260331-1039-B400_B.12-1 15 N H1_make_shim.icon Use sucrose sample. Generates shim.icon file after 3d shimming service 00:00:05 Ref sucrose shim Group Service
1 Submitted 20260331-1039-B400_B.12-1 16 N H1_make_shim.icon Use sucrose sample. Generates shim.icon file after 3d shimming service 00:00:05 Ref sucrose shim Group Service
1 Submitted 20260331-1039-B400_B.12-1 17 N H1_make_shim.icon Use sucrose sample. Generates shim.icon file after 3d shimming service 00:00:05 Ref sucrose shim Group Service
2 Error 20260403-0906-B400_B.14-2 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref QBB-30-D-22hrs Group Leigh_D
3 Error 20260403-0906-B400_B.14-3 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref QBB-30-E-22hrs Group Leigh_D
4 Error 20260403-0906-B400_B.14-4 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref QBB-30-F-22hrs Group Leigh_D
5 Error 20260403-0906-B400_B.14-6 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref QBB-30-A-22hrs Group Leigh_D
6 Error 20260403-1029-B400_B.14-6 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-289 Group Larrosa_I
6 Error 20260403-1029-B400_B.14-6 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-289 Group Larrosa_I
7 Error 20260403-1133-B400_B.14-7 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec k03582jd 00:01:21 Ref JDR104 Group Procter_D
8 Completed 20260404-1410-B400_B.14-8 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref ph-681-onlyd2o Group Leigh_D
8 Completed 20260404-1410-B400_B.14-8 11 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref ph-681-2nd Group Leigh_D
8 Completed 20260404-1410-B400_B.14-8 12 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref ph-681-2nd-buff Group Leigh_D
9 Completed 20260404-1626-B400_B.14-9 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref ph-681-8-2 Group Leigh_D 8:2 d2o cd3cn
9 Completed 20260404-1626-B400_B.14-9 11 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref ph-681-8-2 Group Leigh_D 8:2 d2o cd3cn
9 Completed 20260404-1626-B400_B.14-9 12 c H1_NOESY_US_Night NOESY, ns = 4, sw = auto, centre (o1p) = auto, time = 44 min 36 sec a53046hl 00:44:37 Ref ph-681-8-2 Group Leigh_D 8:2 d2o cd3cn
10 Completed 20260404-1659-B400_B.14-10 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s v73981ac 00:00:29 Ref ILAC196A-p2-5eq Group Larrosa_I
11 Completed 20260404-1224-B400_B.14-11 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s v73981ac 00:00:29 Ref ILAC196D Group Larrosa_I
12 Completed 20260404-1235-B400_B.14-12 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec d93111sd 00:01:21 Ref IL-SD-183hh Group Larrosa_I
12 Completed 20260404-1235-B400_B.14-12 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-183hh Group Larrosa_I
14 Completed 20260403-2337-B400_B.14-14 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 56 sec m09677nb 00:10:55 Ref naphth zi Group Greaney_M
15 Completed 20260403-2337-B400_B.14-15 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 56 sec m09677nb 00:10:55 Ref 4no2 zi Group Greaney_M
16 Completed 20260403-2337-B400_B.14-16 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 56 sec m09677nb 00:10:55 Ref 3 5 dicf3 zi Group Greaney_M
17 Completed 20260403-1838-B400_B.14-17 10 N H1_Quant_D1_25s_Day Proton experiment, 25 s D1 with 16 scans, quantitative for most samples, time = 7 min q62112nk 00:07:45 Ref djp-nk-361R Group Procter_D
18 Completed 20260403-1813-B400_B.14-18 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref ph-681 Group Leigh_D
19 Completed 20260404-1756-B400_B.14-19 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 56 sec m09677nb 00:10:55 Ref 4ph py 1st Group Greaney_M
19 Completed 20260404-1756-B400_B.14-19 11 N F19_CPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec m09677nb 00:00:50 Ref 4ph py 1st Group Greaney_M
20 Completed 20260404-1756-B400_B.14-20 10 n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 56 sec m09677nb 00:10:55 Ref 4ph py 2nd Group Greaney_M
20 Completed 20260404-1756-B400_B.14-20 11 N F19_CPD_Day Fluorine, ns = 16, sw = 237 ppm, centre (o1p) = -100 ppm, time = 50 sec m09677nb 00:00:50 Ref 4ph py 2nd Group Greaney_M
21 Error 20260403-0841-B400_B.14-21 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a53046hl 00:01:21 Ref QBB-G30-A-22hrs Group Leigh_D
22 Completed 20260404-1827-B400_B.14-22 10 N H1_Quant_NS1_Day Proton experiment, single scan for quantitation, quantitatitive for all samples, time = 30 s v73981ac 00:00:29 Ref ILAC196A-p2-CDCl3-dry Group Larrosa_I
23 Completed 20260403-2007-B400_B.14-23 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-05-209-CRM Group Larrosa_I
24 Completed 20260404-1933-B400_B.14-24 10 n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec f56027ch 00:01:21 Ref 20260403 py Zn one pot Group Schroder_M
29 Completed 20260404-2026-B400_B.14-29 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec r25963ar 00:01:21 Ref PtBenzNHC4tBu Group Romanov_A PtBenzNHC4tBu
30 Completed 20260404-2056-B400_B.14-30 10 N H1_Quant_D1_25s_Day Proton experiment, 25 s D1 with 16 scans, quantitative for most samples, time = 7 min q62112nk 00:07:45 Ref djp-nk-363 Group Procter_D
31 Running 20260404-2057-B400_B.14-31 10 N H1_Quant_D1_25s_Day Proton experiment, 25 s D1 with 16 scans, quantitative for most samples, time = 7 min q62112nk 00:07:45 Ref djp-nk-364 Group Procter_D
32 Submitted 20260405-1524-B400_B.14-32 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a74776dr 00:01:21 Ref DJP-DR-2-579-cr Group Procter_D
32 Submitted 20260405-1524-B400_B.14-32 11 n C13_DEPT135_Night DEPT135, proton decoupled, ns = 128, sw = 238 ppm, centre (o1p) = 100 ppm, time = 7 min 29 sec a74776dr 00:07:29 Ref DJP-DR-2-579-cr Group Procter_D
33 Submitted 20260405-1524-B400_B.14-33 10 N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec a74776dr 00:01:21 Ref DJP-DR-2-577 Group Procter_D
33 Submitted 20260405-1524-B400_B.14-33 11 n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec a74776dr 00:13:16 Ref DJP-DR-2-577 Group Procter_D
History List
Holder Time Name ExpNo Experiment User Load Atma Spin Lock Shim Acq Proc Title Remarks
31 21:09:48 20260404-2057-B400_B.14-31 10 H1_Quant_D1_25s_Day q62112nk + + - + x - - Ref djp-nk-364 Group Procter_D
30 20:58:05 20260404-2056-B400_B.14-30 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-363 Group Procter_D
29 20:26:55 20260404-2026-B400_B.14-29 10 H1_Day r25963ar + + - + + + + Ref PtBenzNHC4tBu Group Romanov_A PtBenzNHC4tBu
24 19:34:45 20260404-1933-B400_B.14-24 10 H1_Night f56027ch + + - + + + + Ref 20260403 py Zn one pot Group Schroder_M
22 18:31:28 20260404-1827-B400_B.14-22 10 H1_Quant_NS1_Day v73981ac + + - + + + + Ref ILAC196A-p2-CDCl3-dry Group Larrosa_I
20 18:29:16 20260404-1756-B400_B.14-20 11 F19_CPD_Day m09677nb - + - - - + + Ref 4ph py 2nd 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
20 18:14:32 20260404-1756-B400_B.14-20 10 H1_Night128 m09677nb + + - + + + + Ref 4ph py 2nd Group Greaney_M
19 18:12:06 20260404-1756-B400_B.14-19 11 F19_CPD_Day m09677nb - + - - - + + Ref 4ph py 1st 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
19 17:57:59 20260404-1756-B400_B.14-19 10 H1_Night128 m09677nb + + - + + + + Ref 4ph py 1st Group Greaney_M
10 17:19:26 20260404-1659-B400_B.14-10 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC196A-p2-5eq 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/20260404-1659-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/v73981ac/nmr/20260404-1659-B400_B.14-10/10/pdata/1/peaks!
9 16:34:02 20260404-1626-B400_B.14-9 12 H1_NOESY_US_Night a53046hl - + - - - + + Ref ph-681-8-2 Group Leigh_D 8:2 d2o cd3cn
9 16:31:50 20260404-1626-B400_B.14-9 11 H1_Night a53046hl - + - - - + + Ref ph-681-8-2 Group Leigh_D 8:2 d2o cd3cn
9 16:27:51 20260404-1626-B400_B.14-9 10 H1_Day a53046hl + + - + + + + Ref ph-681-8-2 Group Leigh_D 8:2 d2o cd3cn
8 15:49:08 20260404-1410-B400_B.14-8 12 H1_Day a53046hl + + - + + + + Ref ph-681-2nd-buff Group Leigh_D
8 15:25:26 20260404-1410-B400_B.14-8 11 H1_Day a53046hl + + - + + + + Ref ph-681-2nd Group Leigh_D
31 15:18:38 20260404-1518-B400_B.14-31 10 H1_Day a53046hl + + - + + + + Ref QBB-G30-F13-27 Group Leigh_D
8 14:11:31 20260404-1410-B400_B.14-8 10 H1_Day a53046hl + + - + + + + Ref ph-681-onlyd2o Group Leigh_D
12 12:43:31 20260404-1235-B400_B.14-12 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-183hh Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
12 12:39:23 20260404-1235-B400_B.14-12 10 H1_Day d93111sd + + - + + + + Ref IL-SD-183hh Group Larrosa_I
11 12:35:59 20260404-1224-B400_B.14-11 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC196D 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/20260404-1224-B400_B.14-11/10/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/20260404-1224-B400_B.14-11/10/pdata/1/peaks!
10 12:32:36 20260404-1224-B400_B.14-10 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC196C 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/20260404-1224-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/v73981ac/nmr/20260404-1224-B400_B.14-10/10/pdata/1/peaks!
9 12:29:12 20260404-1224-B400_B.14-9 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC196B 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/20260404-1224-B400_B.14-9/10/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/20260404-1224-B400_B.14-9/10/pdata/1/peaks!
8 12:25:48 20260404-1224-B400_B.14-8 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC196A 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/20260404-1224-B400_B.14-8/10/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/20260404-1224-B400_B.14-8/10/pdata/1/peaks!
1 09:00:01 20260331-1039-B400_B.12-1 13 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260331-1039-B400_B.12-1/13/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260331-1039-B400_B.12-1/13/pdata/1/peaks No peak is found in the specified ranges!
16 02:04:11 20260403-2337-B400_B.14-16 10 H1_Night128 m09677nb + + - + + + + Ref 3 5 dicf3 zi Group Greaney_M
15 01:50:22 20260403-2337-B400_B.14-15 10 H1_Night128 m09677nb + + - + + + + Ref 4no2 zi Group Greaney_M
14 01:35:51 20260403-2337-B400_B.14-14 10 H1_Night128 m09677nb + + - + + + + Ref naphth zi Group Greaney_M
13 01:21:29 20260403-2105-B400_B.14-13 10 H1_Night128 M14042YW + + - + + + + Ref YW-CDCl3 Group Shaver_M
12 01:09:10 20260403-2105-B400_B.14-12 13 H1_C13_HSQC_US_Night M14042YW - + - - - + + Ref YW-4-d-3-LT-acetone-30C Group Shaver_M
12 01:06:58 20260403-2105-B400_B.14-12 12 H1_Night M14042YW - + - - - + + Ref YW-4-d-3-LT-acetone-30C Group Shaver_M
12 00:52:26 20260403-2105-B400_B.14-12 11 C13_CPD_Night256 M14042YW - + - - - + + Ref YW-4-d-3-LT-acetone-30C Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 00:38:23 20260403-2105-B400_B.14-12 10 H1_Night128 M14042YW + + - + + + + Ref YW-4-d-3-LT-acetone-30C Group Shaver_M
11 00:26:04 20260403-2105-B400_B.14-11 13 H1_C13_HSQC_US_Night M14042YW - + - - - + + Ref YW-4-d-1-LT-acetone-30C Group Shaver_M
11 00:23:52 20260403-2105-B400_B.14-11 12 H1_Night M14042YW - + - - - + + Ref YW-4-d-1-LT-acetone-30C Group Shaver_M
11 00:09:27 20260403-2105-B400_B.14-11 11 C13_CPD_Night256 M14042YW - + - - - + + Ref YW-4-d-1-LT-acetone-30C Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 23:55:05 20260403-2105-B400_B.14-11 10 H1_Night128 M14042YW + + - + + + + Ref YW-4-d-1-LT-acetone-30C Group Shaver_M
10 23:42:46 20260403-2105-B400_B.14-10 14 H1_C13_HSQC_US_Night M14042YW - + - - - + + Ref YW-RAMAPET-4-1:4-TFA:CDCl3 Group Shaver_M
10 23:30:54 20260403-2105-B400_B.14-10 13 H1_COSY_HiRes_Night M14042YW - + - - - + + Ref YW-RAMAPET-4-1:4-TFA:CDCl3 Group Shaver_M
10 23:28:42 20260403-2105-B400_B.14-10 12 H1_Night M14042YW - + - - - + + Ref YW-RAMAPET-4-1:4-TFA:CDCl3 Group Shaver_M
10 23:14:17 20260403-2105-B400_B.14-10 11 C13_CPD_Night256 M14042YW - + - - - + + Ref YW-RAMAPET-4-1:4-TFA:CDCl3 Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 23:00:17 20260403-2105-B400_B.14-10 10 H1_Night128 M14042YW + + - + + + + Ref YW-RAMAPET-4-1:4-TFA:CDCl3 Group Shaver_M
9 22:47:58 20260403-2105-B400_B.14-9 14 H1_C13_HSQC_US_Night M14042YW - + - - - + + Ref YW-RAMAPET-1-1:4-TFA:CDCl3 Group Shaver_M
9 22:36:06 20260403-2105-B400_B.14-9 13 H1_COSY_HiRes_Night M14042YW - + - - - + + Ref YW-RAMAPET-1-1:4-TFA:CDCl3 Group Shaver_M
9 22:33:54 20260403-2105-B400_B.14-9 12 H1_Night M14042YW - + - - - + + Ref YW-RAMAPET-1-1:4-TFA:CDCl3 Group Shaver_M
9 22:19:28 20260403-2105-B400_B.14-9 11 C13_CPD_Night256 M14042YW - + - - - + + Ref YW-RAMAPET-1-1:4-TFA:CDCl3 Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9 22:05:31 20260403-2105-B400_B.14-9 10 H1_Night128 M14042YW + + - + + + + Ref YW-RAMAPET-1-1:4-TFA:CDCl3 Group Shaver_M
8 21:53:12 20260403-2105-B400_B.14-8 14 H1_C13_HSQC_US_Night M14042YW - + - - - + + Ref YW-RAMAPET-4-1:9-TFA:CDCl3 Group Shaver_M
8 21:41:19 20260403-2105-B400_B.14-8 13 H1_COSY_HiRes_Night M14042YW - + - - - + + Ref YW-RAMAPET-4-1:9-TFA:CDCl3 Group Shaver_M
8 21:39:08 20260403-2105-B400_B.14-8 12 H1_Night M14042YW - + - - - + + Ref YW-RAMAPET-4-1:9-TFA:CDCl3 Group Shaver_M
8 21:24:42 20260403-2105-B400_B.14-8 11 C13_CPD_Night256 M14042YW - + - - - + + Ref YW-RAMAPET-4-1:9-TFA:CDCl3 Group Shaver_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8 21:10:51 20260403-2105-B400_B.14-8 10 H1_Night128 M14042YW + + - + + + + Ref YW-RAMAPET-4-1:9-TFA:CDCl3 Group Shaver_M
23 20:13:42 20260403-2007-B400_B.14-23 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-209-CRM Group Larrosa_I
22 20:09:22 20260403-2007-B400_B.14-22 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-208-CRM Group Larrosa_I
14 19:52:00 20260403-1626-B400_B.14-14 15 C13_DEPT135_Night z16689fe - + - - - + + Ref DJP FE 366 Group Procter_D CRYSTAL sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14 19:31:05 20260403-1626-B400_B.14-14 14 H1_C13_HMBC_US_Night z16689fe + + - + + + + Ref DJP FE 366 Group Procter_D CRYSTAL
15 19:18:46 20260403-1648-B400_B.14-15 14 H1_C13_HSQC_US_Night b26045ab - + - - - + + Ref AT-ABO-02-805-P1 Group Trowbridge_A
15 19:10:19 20260403-1648-B400_B.14-15 13 C13_DEPT135_Night b26045ab - + - - - + + Ref AT-ABO-02-805-P1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 18:53:36 20260403-1648-B400_B.14-15 12 C13_CPD_Night256 b26045ab + + - + + + + Ref AT-ABO-02-805-P1 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17 18:42:09 20260403-1838-B400_B.14-17 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-361R Group Procter_D
15 18:37:06 20260403-1648-B400_B.14-15 11 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-805-P1 Group Trowbridge_A
18 18:32:37 20260403-1813-B400_B.14-18 10 H1_Day a53046hl + + - + + + + Ref ph-681 Group Leigh_D
17 18:27:19 20260403-1811-B400_B.14-17 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-294 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
17 18:22:44 20260403-1811-B400_B.14-17 10 H1_Day d93111sd + + - + + + + Ref IL-SD-294 Group Larrosa_I
14 18:10:05 20260403-1626-B400_B.14-14 13 H1_C13_HSQC_US_Night z16689fe - + - - - + + Ref DJP FE 366 Group Procter_D CRYSTAL
14 18:05:22 20260403-1626-B400_B.14-14 12 H1_Night z16689fe + + - + + + + Ref DJP FE 366 Group Procter_D CRYSTAL
20 17:59:41 20260403-1726-B400_B.14-20 11 F19_Quant_D1_8s_Day q62112nk - + - - - + + Ref djp-nk-pxt-bf4-purity Group Procter_D 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
20 17:55:39 20260403-1726-B400_B.14-20 10 H1_Quant_NS1_Day q62112nk + + - + + + + Ref djp-nk-pxt-bf4-purity Group Procter_D
19 17:44:19 20260403-1726-B400_B.14-19 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-362 Group Procter_D
25 17:39:25 20260403-1737-B400_B.14-25 10 H1_Day z83527ql + + - + + + + Ref sl-m Group Leigh_D
18 17:27:56 20260403-1724-B400_B.14-18 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-361 Group Procter_D
17 17:24:20 20260403-1708-B400_B.14-17 11 F19_CPD_Day m09677nb - + - - - + + Ref 2nd spot 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
17 17:19:09 20260403-1708-B400_B.14-17 10 H1_Day m09677nb + + - + + + + Ref 2nd spot Group Greaney_M
16 17:16:25 20260403-1708-B400_B.14-16 10 H1_Day m09677nb + + - x - - - Ref 1 st spot Group Greaney_M Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is OFF, Command 'lock CDCl3' failed. Lock is OFF
14 16:59:14 20260403-1626-B400_B.14-14 11 C13_CPD_Night256 z16689fe + + - + + + + Ref DJP FE 366 Group Procter_D CRYSTAL sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15 16:54:44 20260403-1648-B400_B.14-15 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-805-P1 Group Trowbridge_A
14 16:46:04 20260403-1626-B400_B.14-14 10 H1_COSY_Day z16689fe + + - + + + + Ref DJP FE 366 Group Procter_D CRYSTAL
19 16:41:35 20260403-1619-B400_B.14-19 10 H1_Day h91839em + + - + + + + Ref DC-glutarylnapht-cat-wu Group Leigh
18 16:37:04 20260403-1618-B400_B.14-18 10 H1_Day h91839em + + - + + + + Ref DC-decanodiamino-cat-wu Group Leigh
17 16:32:07 20260403-1617-B400_B.14-17 10 H1_Day h91839em + + - + + + + Ref DC-Naphtdichloride-cat-wu-Chloroform Group Leigh
16 16:27:47 20260403-1616-B400_B.14-16 10 H1_Day h91839em + + - + + + + Ref DC-Naphtdichloride-cat-wu Group Leigh
15 16:22:42 20260403-1614-B400_B.14-15 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-293 Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
15 16:17:44 20260403-1614-B400_B.14-15 10 H1_Day d93111sd + + - + + + + Ref IL-SD-293 Group Larrosa_I
14 16:13:40 20260403-1613-B400_B.14-14 10 H1_Day z16689fe + + - + + + + Ref DJP FE 366 Group Procter_D SECOND FRACTION
13 16:03:32 20260403-1603-B400_B.14-13 10 H1_Day z16689fe + + - + + + + Ref DJP FE 366 Group Procter_D FIRST FRACTION
10 15:33:13 20260403-1241-B400_B.14-10 13 C13_DEPTQ_Night f56027ch - + - - - + + Ref 20260402 deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:24:46 20260403-1241-B400_B.14-10 12 C13_DEPT90_Night f56027ch - + - - - + + Ref 20260402 deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 15:09:33 20260403-1241-B400_B.14-10 11 C13_DEPT135_Night f56027ch + + - + x + + Ref 20260402 deprotected Group Schroder_M topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12 15:04:44 20260403-1501-B400_B.14-12 10 H1_Day z92209cg + + - + + + + Ref sl-U Group Leigh_D
10 14:48:03 20260403-1241-B400_B.14-10 10 C13_CPD_Night256 f56027ch + + - + + + + Ref 20260402 deprotected Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 13:39:59 20260403-1331-B400_B.14-24 10 H1_Day r25963ar + + - + + + + Ref 3BrPhCz fr3 Group Romanov_A 3BrPhCz fr3
23 13:35:30 20260403-1330-B400_B.14-23 10 H1_Day r25963ar + + - + + + + Ref 3BrPhCz fr2 Group Romanov_A 3BrPhCz fr2
22 13:30:58 20260403-1330-B400_B.14-22 10 H1_Day r25963ar + + - + + + + Ref 3BrPhCz Group Romanov_A 3BrPhCz fr1
11 12:49:47 20260403-1241-B400_B.14-11 10 H1_Day f56027ch + + - + + + + Ref 20260402 Zn py one pot Group Schroder_M
10 12:45:17 20260403-1241-B400_B.14-10 10 H1_Day f56027ch + + - + + + + Ref 20260402 deprotected Group Schroder_M
8 12:40:41 20260403-1138-B400_B.14-8 10 H1_Day h91839em + + - + + + + Ref fridayeastercheck Group Leigh
9 12:35:25 20260403-1229-B400_B.14-9 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-172aaa 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
9 12:31:24 20260403-1229-B400_B.14-9 10 H1_Day d93111sd + + - + + + + Ref IL-SD-172aaa Group Larrosa_I
7 11:33:47 20260403-1133-B400_B.14-7 10 H1_Day k03582jd x - - - - - - Ref JDR104 Group Procter_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample., Automation was stopped by user
5 10:38:19 20260403-0906-B400_B.14-6 10 H1_Day a53046hl x - - - - - - Ref QBB-30-A-22hrs Group Leigh_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
6 10:33:17 20260403-1029-B400_B.14-6 10 H1_Quant_NS1_Day d93111sd x - - - - - - Ref IL-SD-289 Group Larrosa_I WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
4 09:19:52 20260403-0906-B400_B.14-4 10 H1_Day a53046hl x - - - - - - Ref QBB-30-F-22hrs Group Leigh_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
3 09:14:50 20260403-0906-B400_B.14-3 10 H1_Day a53046hl x - - - - - - Ref QBB-30-E-22hrs Group Leigh_D WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
2 09:14:33 20260403-0906-B400_B.14-2 10 H1_Day a53046hl x - - - - - - Ref QBB-30-D-22hrs Group Leigh_D WebService Error: 103.310.192:Insert Error:Transfer of sample '1.2' from Sample Changer (0) to Magnet (1) could not be performed. Reason: 117.310.207:Eject Failed:The position at BST is not empty..
1 09:00:00 20260331-1039-B400_B.12-1 12 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260331-1039-B400_B.12-1/12/pdata/1/peaks No peak is found in the specified ranges!, pp: Unable to assign a peak for scaling of /mnt/nmrdata/Service/data/service/nmr/20260331-1039-B400_B.12-1/12/pdata/1/peaks No peak is found in the specified ranges!
23 08:49:40 20260403-0841-B400_B.14-23 10 H1_Day a53046hl + + - + + + + Ref QBB-G30-C-22hrs Group Leigh_D
22 08:44:50 20260403-0841-B400_B.14-22 10 H1_Day a53046hl + + - + + + + Ref QBB-G30-B-22hrs Group Leigh_D
21 08:42:14 20260403-0841-B400_B.14-21 10 H1_Day a53046hl + + - x - - - Ref QBB-G30-A-22hrs Group Leigh_D Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is OFF, Command 'lock CDCl3' failed. Lock is OFF
12 01:14:14 20260402-2314-B400_B.14-12 10 H1_Night128 m09677nb + + - + + + + Ref free py 2nd spot Group Greaney_M
11 00:59:41 20260402-2314-B400_B.14-11 10 H1_Night128 m09677nb + + - + + + + Ref free py 1st spot Group Greaney_M
45 00:45:05 20260402-1923-B400_B.14-45 12 C13_CPD_Night256 b19299kh - + - - - + + Ref STL-XLD-Br2-drops of THF-867XLD4B Group Liddle_S sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45 00:40:48 20260402-1923-B400_B.14-45 11 H1_Night b19299kh + + - + + + + Ref STL-XLD-Br2-drops of THF-867XLD4B Group Liddle_S
56 00:23:32 20260402-1800-B400_B.14-56 11 C13_CPD_Night256 k03582jd + + - + + + + Ref JB012cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 23:59:24 20260402-1750-B400_B.14-10 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_101 Group Cobb_S
9 23:35:45 20260402-1748-B400_B.14-9 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_100 Group Cobb_S
8 23:11:51 20260402-1748-B400_B.14-8 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_99 Group Cobb_S
7 22:47:31 20260402-1747-B400_B.14-7 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_98 Group Cobb_S
6 22:23:38 20260402-1747-B400_B.14-6 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_97 Group Cobb_S
5 21:59:45 20260402-1752-B400_B.14-5 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_102 Group Cobb_S
4 21:36:06 20260402-1752-B400_B.14-4 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_103 Group Cobb_S
3 21:11:55 20260402-1754-B400_B.14-3 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_104 Group Cobb_S
2 20:47:30 20260402-1754-B400_B.14-2 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_61 Group Cobb_S
16 20:44:01 20260402-1718-B400_B.14-16 10 H1_Quant_NS1_Day n04147ed + + - + + + + Ref ED-03-049-x Group James_M
15 20:40:11 20260402-1718-B400_B.14-15 10 H1_Quant_NS1_Day n04147ed + + - + + + + Ref ED-03-048-x Group James_M
14 20:36:35 20260402-1718-B400_B.14-14 10 H1_Quant_NS1_Day n04147ed + + - + + + + Ref ED-03-047-x Group James_M
27 20:24:42 20260402-1555-B400_B.14-27 14 H1_COSY_HiRes_Night a79330ps - + - - - + + Ref ilps372c Group Larrosa_I
27 20:08:45 20260402-1555-B400_B.14-27 13 C13_DEPTQ_Night a79330ps - + - - - + + Ref ilps372c Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 19:50:21 20260402-1555-B400_B.14-27 12 H1_C13_HMBC_US_Night a79330ps - + - - - + + Ref ilps372c Group Larrosa_I
27 19:26:44 20260402-1555-B400_B.14-27 11 H1_C13_HSQCed_Night a79330ps - + - - - + + Ref ilps372c Group Larrosa_I
27 19:22:26 20260402-1555-B400_B.14-27 10 H1_Night a79330ps + + - + + + + Ref ilps372c Group Larrosa_I
26 19:07:58 20260402-1432-B400_B.14-26 11 H1_Night128 a79330ps + + - + + + + Ref ilps380 Group Larrosa_I
57 18:50:50 20260402-1800-B400_B.14-57 11 C13_CPD_Night256 k03582jd + + - + + + + Ref JB013cr Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11 18:45:45 20260402-1830-B400_B.14-11 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-nbutcat0degree Group Procter_D
60 18:41:00 20260402-1824-B400_B.14-60 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-804-F37-43 Group Trowbridge_A
59 18:36:14 20260402-1824-B400_B.14-59 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-804-F20-30 Group Trowbridge_A
58 18:32:06 20260402-1821-B400_B.14-58 10 H1_Day a53046hl + + - + + + + Ref ph-679 Group Leigh_D
57 18:27:48 20260402-1800-B400_B.14-57 10 H1_Day k03582jd + + - + + + + Ref JB013cr Group Procter_D
56 18:23:18 20260402-1800-B400_B.14-56 10 H1_Day k03582jd + + - + + + + Ref JB012cr Group Procter_D
55 18:11:54 20260402-1757-B400_B.14-55 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref DJP-NK-360r Group Procter_D
54 18:00:05 20260402-1756-B400_B.14-54 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref DJP-NK-359r Group Procter_D
53 17:55:34 20260402-1735-B400_B.14-53 10 H1_Day k03582jd + + - + + + + Ref JDR101col Group Procter_D
52 17:50:58 20260402-1728-B400_B.14-52 10 H1_Day z88883sp + + - + + + + Ref SP418 Group Romanov_A Deprotected, suction dried
51 17:46:37 20260402-1715-B400_B.14-51 10 H1_Day z86427mk + + - + + + + Ref MK-316 Group Procter_D
50 17:42:44 20260402-1646-B400_B.14-50 11 F19_CPD_Day j26946hi - + - - - + + Ref AT-HI-1-26A 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
50 17:37:45 20260402-1646-B400_B.14-50 10 H1_Day j26946hi + + - + + + + Ref AT-HI-1-26A Group Trowbridge_A
49 17:32:43 20260402-1608-B400_B.14-49 10 H1_Day e72206ov + + - + + + + Ref ov-doubly clip 22 days later Group DeBo_G
48 17:28:10 20260402-1615-B400_B.14-48 10 H1_Day d93111sd + + - + + + + Ref IL-SD-292crude Group Larrosa_I
47 17:23:08 20260402-1614-B400_B.14-47 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-290 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
47 17:19:11 20260402-1614-B400_B.14-47 10 H1_Day d93111sd + + - + + + + Ref IL-SD-290 Group Larrosa_I
46 17:14:20 20260402-1614-B400_B.14-46 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-288 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
46 17:10:24 20260402-1614-B400_B.14-46 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-288 Group Larrosa_I
45 17:05:52 20260402-1607-B400_B.14-45 10 H1_Day e72206ov + + - + + + + Ref ov-011-d F2 Group DeBo_G
44 17:01:22 20260402-1607-B400_B.14-44 10 H1_Day e72206ov + + - + + + + Ref ov-011-d F1 Group DeBo_G
43 16:56:51 20260402-1607-B400_B.14-43 10 H1_Day e72206ov + + - + + + + Ref ov-011-d F3 Group DeBo_G
42 16:54:59 20260402-1602-B400_B.14-42 11 F19_NoCPD_Day y83900an - + - - - + + Ref IL-AMN-05-191-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
42 16:50:31 20260402-1602-B400_B.14-42 10 H1_Quant_NS1_Day y83900an + + - + + + + Ref IL-AMN-05-191-CRM Group Larrosa_I
41 16:43:36 20260402-1602-B400_B.14-41 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-207-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
40 16:36:24 20260402-1601-B400_B.14-40 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-206-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
39 16:31:27 20260402-1539-B400_B.14-39 11 F19_Quant_D1_8s_Day w12998gm - + - - - + + Ref il-gm-10-042-wup 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 16:26:25 20260402-1539-B400_B.14-39 10 H1_Day w12998gm + + - + + + + Ref il-gm-10-042-wup Group Larrosa_I
38 16:21:24 20260402-1558-B400_B.14-38 10 H1_Day g16660ml + + - + + + + Ref djp-muze Group Procter_D
37 16:09:48 20260402-1508-B400_B.14-37 10 H1_Quant_D1_25s_Day a79330ps + + - + + + + Ref ilps379 Group Larrosa_I
36 16:05:03 20260402-1502-B400_B.14-36 10 H1_Day a53046hl + + - + + + + Ref PH-678-DEP Group Leigh_D
35 15:59:40 20260402-1358-B400_B.14-35 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4tBu Group Procter_D
34 15:57:04 20260402-1501-B400_B.14-34 11 Li7_CPD_Day mbdxrlw2 - + - - - + + Ref LW011_CYCLOHEXANE_C6D6 Group Mills_D sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0
34 15:52:31 20260402-1501-B400_B.14-34 10 H1_Day mbdxrlw2 + + - + + + + Ref LW011_CYCLOHEXANE_C6D6 Group Mills_D
33 15:48:12 20260402-1449-B400_B.14-33 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-25-12-24 Group DeBo_G
38 15:43:33 20260402-1542-B400_B.14-38 10 H1_Day z83527ql + + - + + + + Ref sl-s Group Leigh_D
32 15:39:30 20260402-1450-B400_B.14-32 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-24 iso dmso Group DeBo_G
31 15:34:55 20260402-1357-B400_B.14-31 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2Cl Group Procter_D
30 15:30:28 20260402-1357-B400_B.14-30 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2Cl5CF3 Group Procter_D
29 15:26:04 20260402-1357-B400_B.14-29 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2,3DiF6Br Group Procter_D
28 15:14:34 20260402-1432-B400_B.14-28 10 H1_Quant_D1_25s_Day a79330ps + + - + + + + Ref ilps373c Group Larrosa_I
27 15:03:03 20260402-1432-B400_B.14-27 10 H1_Quant_D1_25s_Day a79330ps + + - + + + + Ref ilps372c Group Larrosa_I
26 14:50:58 20260402-1432-B400_B.14-26 10 H1_Quant_D1_25s_Day a79330ps + + - + + + + Ref ilps380 Group Larrosa_I
25 14:46:32 20260402-1356-B400_B.14-25 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4CHO Group Procter_D
24 14:42:06 20260402-1355-B400_B.14-24 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-2Br3OMe6F Group Procter_D
23 14:37:18 20260402-1355-B400_B.14-23 10 H1_Day n29715ss + + - + + + + Ref DJP-SS-4Cl Group Procter_D
22 14:32:56 20260402-1347-B400_B.14-22 10 H1_Day k48162ck + + - + + + + Ref py-urea-cdcl3 Group Romanov_A
21 14:28:56 20260402-1342-B400_B.14-21 10 H1_Quant_NS1_Day z61799af + + - + + + + Ref AF-Mn Group Larrosa_I
20 14:24:30 20260402-1342-B400_B.14-20 10 H1_Quant_NS1_Day z61799af + + - + + + + Ref AF-Ir Group Larrosa_I
19 14:19:55 20260402-1342-B400_B.14-19 10 H1_Quant_NS1_Day z61799af + + - + + + + Ref AF-Co Group Larrosa_I
18 14:16:13 20260402-1339-B400_B.14-18 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_062B Group Willcox_D
17 14:13:18 20260402-1339-B400_B.14-17 10 H1_ExtraWide_Day b78349dw + + - + + + + Ref DW01_062A Group Willcox_D
16 14:08:35 20260402-1332-B400_B.14-16 10 H1_Day k03582jd + + - + + + + Ref JDR102col Group Procter_D
15 14:03:35 20260402-1332-B400_B.14-15 10 H1_Day k03582jd + + - + + + + Ref JDR98F2 Group Procter_D
14 13:58:34 20260402-1332-B400_B.14-14 10 H1_Day k03582jd + + - + + + + Ref JDR98F1 Group Procter_D
13 13:56:15 20260402-1319-B400_B.14-13 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-138-re? Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
13 13:51:21 20260402-1319-B400_B.14-13 10 H1_Day q50682hk + + - + + + + Ref HK-138-re? Group Willcox_D
12 13:47:19 20260402-1318-B400_B.14-12 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-138-Re-dintro Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
12 13:43:05 20260402-1318-B400_B.14-12 10 H1_Day q50682hk + + - + + + + Ref HK-138-Re-dintro Group Willcox_D
11 13:38:35 20260402-1304-B400_B.14-11 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-094-C Group Greaney_M
10 13:35:33 20260402-1317-B400_B.14-10 11 F19_CPD_Day q50682hk - + - - - + + Ref HK-138-RE_methylnitro Group Willcox_D sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
10 13:31:08 20260402-1317-B400_B.14-10 10 H1_Day q50682hk + + - + + + + Ref HK-138-RE_methylnitro Group Willcox_D
9 13:26:23 20260402-1307-B400_B.14-9 10 H1_Day k48162ck + + - + + + + Ref rtp-2 Group Romanov_A
8 13:22:07 20260402-1303-B400_B.14-8 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-093-C Group Greaney_M
7 13:17:24 20260402-1303-B400_B.14-7 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-092-C Group Greaney_M
6 13:13:06 20260402-1302-B400_B.14-6 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-091-C Group Greaney_M
5 13:08:52 20260402-1302-B400_B.14-5 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-090-C Group Greaney_M
4 13:04:22 20260402-1301-B400_B.14-4 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-089-C Group Greaney_M
3 13:00:14 20260402-1259-B400_B.14-3 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-149 plug Group James_M
2 12:56:45 20260402-1243-B400_B.14-2 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-25B 12 h 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
2 12:44:37 20260402-1243-B400_B.14-2 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-25B 12 h Group Trowbridge_A
27 12:37:24 20260402-1232-B400_B.14-27 10 H1_Day z16689fe + + - + + + + Ref DJP FE 365 Group Procter_D FIRST FRACTION (AGAIN)
26 12:32:42 20260402-1209-B400_B.14-26 10 H1_Day z61799af + + - + + + + Ref AF-amidatingagentdeprotectF2 Group Larrosa_I
25 12:28:14 20260402-1206-B400_B.14-25 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-Alex-48h Group DeBo_G
24 12:22:36 20260402-1209-B400_B.14-24 10 H1_Day z61799af + + - + + + + Ref AF-amidatingdeprotectF1 Group Larrosa_I
23 12:17:37 20260402-1206-B400_B.14-23 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-Alex-24h Group DeBo_G
22 12:12:39 20260402-1206-B400_B.14-22 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-Alex-4h Group DeBo_G
21 12:08:13 20260402-1206-B400_B.14-21 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-Alex-0h Group DeBo_G
18 12:01:16 20260402-1156-B400_B.14-18 10 H1_Day z92209cg + + - + + + + Ref sl-q Group Leigh_D
17 11:56:59 20260402-1137-B400_B.14-17 10 H1_Day k48162ck + + - + + + + Ref pynhc-SP-2-KHMDS Group Romanov_A
16 11:52:43 20260402-1136-B400_B.14-16 10 H1_Day k48162ck + + - + + + + Ref pynhc-SP-1-KHMDS Group Romanov_A
15 11:43:36 20260402-1118-B400_B.14-15 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-q-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, Automation was stopped by user
14 11:36:23 20260402-1118-B400_B.14-14 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-p-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
11 11:32:11 20260402-1129-B400_B.14-11 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4035-Crude-DMSO Group Riddell_I
10 11:25:03 20260402-1042-B400_B.14-10 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-o-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
9 11:18:06 20260402-1042-B400_B.14-9 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-n-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
8 11:10:59 20260402-1041-B400_B.14-8 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-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
5 11:06:30 20260402-1101-B400_B.14-5 10 H1_Day b32507dt + + - + + + + Ref dte51 Group Webb_S
4 10:59:23 20260402-1041-B400_B.14-4 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-L-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
3 10:52:25 20260402-1041-B400_B.14-3 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-k-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
2 10:43:30 20260402-1041-B400_B.14-2 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-j-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
2 10:32:15 20260402-1032-B400_B.14-2 10 H1_Day m46745sw + + - + + + + Ref WSY-16-2 Group Natrajan_L
30 10:07:55 20260402-0959-B400_B.14-30 10 H1_Day k03582jd + + - + + + + Ref JDR103 Group Procter_D
29 10:03:05 20260402-0957-B400_B.14-29 10 H1_Day p10102hz + + - + + + + Ref zhb-a-139c- product tfoh Group Procter_D
28 09:58:17 20260402-0957-B400_B.14-28 10 H1_Day p10102hz + + - + + + + Ref zhb-a-139c- product Group Procter_D
27 09:37:23 20260402-0933-B400_B.14-27 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4035-Crude Group Riddell_I
26 09:32:32 20260402-0918-B400_B.14-26 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-35 Crude Group Riddell_I
25 09:28:10 20260402-0821-B400_B.14-25 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-MUNa Group Riddell_I
24 09:23:37 20260402-0821-B400_B.14-24 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-MU Group Riddell_I
2 09:19:06 20260402-0913-B400_B.14-2 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-796-S2-24h Group Trowbridge_A
1 09:04:43 20260331-1039-B400_B.12-1 11 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
23 09:01:35 20260402-0821-B400_B.14-23 11 F19_CPD_Day m14269jw - + - - - + + Ref IR-JW-4036-C153 Group Riddell_I 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
23 08:57:21 20260402-0821-B400_B.14-23 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C153 Group Riddell_I
21 08:52:39 20260402-0845-B400_B.14-21 10 H1_Day b26045ab + + - + + + + Ref AT-ABO-02-796-iso-24h Group Trowbridge_A
20 08:48:01 20260402-0825-B400_B.14-20 10 H1_Day a53046hl + + - + + + + Ref QBB-G27-check Group Leigh_D
19 08:43:57 20260402-0820-B400_B.14-19 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C343 Group Riddell_I
18 08:39:47 20260402-0820-B400_B.14-18 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C6 Group Riddell_I
17 08:35:07 20260402-0818-B400_B.14-17 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4030-SAC-Estr-v4 Group Riddell_I
16 08:30:54 20260402-0818-B400_B.14-16 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4030-SAC-Tona-v4 Group Riddell_I
15 08:26:19 20260402-0815-B400_B.14-15 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-34 Group Riddell_I
14 08:24:31 20260402-0802-B400_B.14-14 13 F19_NoCPD_Day mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S181 Group Goodwin_C ccapg556 - C6D6 sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
14 08:21:09 20260402-0802-B400_B.14-14 12 F19_CPD_Day mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S181 Group Goodwin_C ccapg556 - C6D6 sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
14 08:19:51 20260402-0802-B400_B.14-14 11 B11_NoCPD_Day mbdxkbr5 - + - - - + + Ref BLLR-CAPG-S181 Group Goodwin_C ccapg556 - C6D6 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/Goodwin_C/data/mbdxkbr5/nmr/20260402-0802-B400_B.14-14/11/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/Goodwin_C/data/mbdxkbr5/nmr/20260402-0802-B400_B.14-14/11/pdata/1/peaks!
14 08:14:48 20260402-0802-B400_B.14-14 10 B11_CPD_Day mbdxkbr5 + + - + + + + Ref BLLR-CAPG-S181 Group Goodwin_C ccapg556 - C6D6 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/Goodwin_C/data/mbdxkbr5/nmr/20260402-0802-B400_B.14-14/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/mbdxkbr5/nmr/20260402-0802-B400_B.14-14/10/pdata/1/peaks!
11 08:00:38 20260402-0110-B400_B.14-11 10 H1_Night128 m09677nb + + - + + + + Ref thiophene zi Group Greaney_M
13 07:56:04 20260402-0750-B400_B.14-13 10 H1_Day a53046hl + + - + + + + Ref QBB-G29-15hours Group Leigh_D
12 07:50:22 20260402-0741-B400_B.14-12 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-291 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
12 07:46:09 20260402-0741-B400_B.14-12 10 H1_Day d93111sd + + - + + + + Ref IL-SD-291 Group Larrosa_I
10 07:32:32 20260402-0110-B400_B.14-10 10 H1_Night128 m09677nb + + - + + + + Ref 3sme zi Group Greaney_M
9 07:17:41 20260402-0110-B400_B.14-9 10 H1_Night128 m09677nb + + - + + + + Ref 2me zi Group Greaney_M
51 07:13:38 20260401-2205-B400_B.14-51 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-2-575-cr Group Procter_D
46 07:09:30 20260401-2059-B400_B.14-46 10 H1_Night w61916tz + + - + + + + Ref mfm-600's ligand Group Schroder_M
53 07:05:13 20260401-2043-B400_B.14-53 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-801-iso Group Trowbridge_A
52 06:50:48 20260401-2034-B400_B.14-52 11 C13_CPD_Night256 b26045ab - + - - - + + Ref AT-ABO-02-796-iso Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52 06:46:13 20260401-2034-B400_B.14-52 10 H1_Night b26045ab + + - + + + + Ref AT-ABO-02-796-iso Group Trowbridge_A
42 06:41:22 20260401-1927-B400_B.14-42 10 H1_Night z88883sp + + - + + + + Ref SP419a Group Romanov_A Columned
29 06:26:56 20260401-1906-B400_B.14-29 11 C13_CPD_Night256 h91839em - + - - - + + Ref LM-ML-AC-t15 Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29 06:22:13 20260401-1906-B400_B.14-29 10 H1_Day h91839em + + - + + + + Ref LM-ML-AC-t15 Group Leigh
28 06:07:48 20260401-1905-B400_B.14-28 11 C13_CPD_Night256 h91839em - + - - - + + Ref LM-ML-AC-t12 Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28 06:03:20 20260401-1905-B400_B.14-28 10 H1_Day h91839em + + - + + + + Ref LM-ML-AC-t12 Group Leigh
27 05:48:55 20260401-1905-B400_B.14-27 11 C13_CPD_Night256 h91839em - + - - - + + Ref LM-ML-AC-t10 Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27 05:44:39 20260401-1905-B400_B.14-27 10 H1_Day h91839em + + - + + + + Ref LM-ML-AC-t10 Group Leigh
26 05:30:14 20260401-1904-B400_B.14-26 11 C13_CPD_Night256 h91839em - + - - - + + Ref LM-ML-AC-t8 Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26 05:25:41 20260401-1904-B400_B.14-26 10 H1_Day h91839em + + - + + + + Ref LM-ML-AC-t8 Group Leigh
25 05:11:16 20260401-1904-B400_B.14-25 11 C13_CPD_Night256 h91839em - + - - - + + Ref LM-ML-AC-t3 Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25 05:06:45 20260401-1904-B400_B.14-25 10 H1_Day h91839em + + - + + + + Ref LM-ML-AC-t3 Group Leigh
24 04:52:14 20260401-1903-B400_B.14-24 11 C13_CPD_Night256 h91839em - + - - - + + Ref LM-ML-AC-t2 Group Leigh sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24 04:47:29 20260401-1903-B400_B.14-24 10 H1_Day h91839em + + - + + + + Ref LM-ML-AC-t2 Group Leigh
22 04:02:06 20260401-1851-B400_B.14-22 12 H1_NOESY_US_Night n06287cb - + - - - + + Ref IL-CB-cyclopr Group Larrosa_I
22 03:50:18 20260401-1851-B400_B.14-22 11 H1_COSY_HiRes_Night n06287cb - + - - - + + Ref IL-CB-cyclopr Group Larrosa_I
22 03:44:23 20260401-1851-B400_B.14-22 10 H1_Night n06287cb + + - + + + + Ref IL-CB-cyclopr Group Larrosa_I
36 03:27:14 20260401-1824-B400_B.14-36 11 C13_CPD_Night256 t99505xy + + - + + + + Ref METT_C Group Schroder_M sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 03:14:55 20260401-1813-B400_B.14-23 15 H1_C13_HSQC_US_Night v73981ac - + - - - + + Ref ILAC195A-pure Group Larrosa_I
23 02:29:32 20260401-1813-B400_B.14-23 14 H1_NOESY_US_Night v73981ac - + - - - + + Ref ILAC195A-pure Group Larrosa_I
23 02:27:20 20260401-1813-B400_B.14-23 13 H1_Night v73981ac - + - - - + + Ref ILAC195A-pure Group Larrosa_I
23 02:12:54 20260401-1813-B400_B.14-23 12 C13_CPD_Night256 v73981ac - + - - - + + Ref ILAC195A-pure Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 01:58:52 20260401-1813-B400_B.14-23 11 H1_COSY_HiRes_Night v73981ac + + - + + + + Ref ILAC195A-pure Group Larrosa_I
8 01:34:48 20260401-1745-B400_B.14-8 10 H1_Quant_d1_56s_Night p98722sl + + - + + + + Ref formic 1p5 micro L Group Cobb_S
7 01:10:46 20260401-1745-B400_B.14-7 10 H1_Quant_d1_56s_Night p98722sl + + - + + + + Ref formic 1p25 micro L Group Cobb_S
6 00:47:07 20260401-1745-B400_B.14-6 10 H1_Quant_d1_56s_Night p98722sl + + - + + + + Ref formic 1p0 micro L Group Cobb_S
5 00:23:27 20260401-1745-B400_B.14-5 10 H1_Quant_d1_56s_Night p98722sl + + - + + + + Ref formic 0p75 micro L Group Cobb_S
4 23:58:35 20260401-1745-B400_B.14-4 10 H1_Quant_d1_56s_Night p98722sl + + - + + + + Ref formic 0p5 micro L Group Cobb_S
12 23:34:02 20260401-1743-B400_B.14-12 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM304 Group Cobb_S
11 23:10:08 20260401-1743-B400_B.14-11 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM303 Group Cobb_S
10 22:46:11 20260401-1743-B400_B.14-10 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM302 Group Cobb_S
9 22:20:49 20260401-1743-B400_B.14-9 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref JAM301 Group Cobb_S
50 22:03:51 20260401-1542-B400_B.14-50 11 C13_CPD_Night256 v73981ac + + - + + + + Ref LC15P Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49 21:46:08 20260401-1542-B400_B.14-49 10 C13_CPD_Night256 v73981ac + + - + + + + Ref LC3P Group Larrosa_I sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 21:27:44 20260401-1408-B400_B.14-51 14 H1_C13_HMBC_US_Night y52364mw - + - - - + + Ref GDB-MJ-193-FULL Group DeBo_G
51 21:15:25 20260401-1408-B400_B.14-51 13 H1_C13_HSQC_US_Night y52364mw - + - - - + + Ref GDB-MJ-193-FULL Group DeBo_G
51 20:52:43 20260401-1408-B400_B.14-51 12 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-193-FULL Group DeBo_G
51 19:56:17 20260401-1408-B400_B.14-51 11 C13_CPD_Night256 y52364mw + + - + + + + Ref GDB-MJ-193-FULL Group DeBo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32 19:37:54 20260401-1317-B400_B.14-32 14 H1_C13_HMBC_US_Night a79330ps - + - - - + + Ref ilps378f1 Group Larrosa_I
32 19:14:09 20260401-1317-B400_B.14-32 13 H1_C13_HSQCed_Night a79330ps - + - - - + + Ref ilps378f1 Group Larrosa_I
32 19:11:57 20260401-1317-B400_B.14-32 12 H1_Night a79330ps - + - - - + + Ref ilps378f1 Group Larrosa_I
32 18:57:25 20260401-1317-B400_B.14-32 11 H1_COSY_HiRes_Night a79330ps + + - + + + + Ref ilps378f1 Group Larrosa_I
21 18:40:08 20260401-1800-B400_B.14-21 11 C13_CPD_Night256 c37930an + + - + + + + Ref STL-AN-024 Group Liddle_S 13C_CeNBO_STL-AN-024 sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36 18:35:22 20260401-1824-B400_B.14-36 10 H1_Day t99505xy + + - + + + + Ref METT_H Group Schroder_M
23 18:29:57 20260401-1813-B400_B.14-23 10 H1_Day v73981ac + + - + + + + Ref ILAC195A-pure Group Larrosa_I
22 18:25:17 20260401-1804-B400_B.14-22 10 H1_Day m46745sw + + - + + + + Ref WSY-16-P Group Natrajan_L
21 18:21:47 20260401-1800-B400_B.14-21 12 B11_CPD_Day c37930an - + - - - + + Ref STL-AN-024 Group Liddle_S 11B_CeNBO_STL-AN-024 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/20260401-1800-B400_B.14-21/12/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/Liddle_S/data/c37930an/nmr/20260401-1800-B400_B.14-21/12/pdata/1/peaks!
21 18:17:42 20260401-1800-B400_B.14-21 10 H1_Day c37930an + + - + + + + Ref STL-AN-024 Group Liddle_S 1H_CeNBO_STL-AN-024
17 18:13:20 20260401-1808-B400_B.14-17 10 H1_Day z83527ql + + - + + + + Ref SL-BB Group Leigh_D
20 18:08:11 20260401-1504-B400_B.14-20 10 H1_Day a58682al + + - + + + + Ref Diol recrystallisation solid from filtrate (solid 2) Group Fox_N
19 18:03:55 20260401-1504-B400_B.14-19 10 H1_Day a58682al + + - + + + + Ref Diol recrystallisation solid 1 Group Fox_N
18 17:59:33 20260401-1503-B400_B.14-18 10 H1_Day a58682al + + - + + + + Ref Diacetate 1st recrystallisation Group Fox_N
13 17:54:44 20260401-1747-B400_B.14-13 10 H1_Day z40241jm + + - + + + + Ref DJP-JIM-8-062-1a-betulin-isolate Group Procter_D
3 17:47:31 20260401-1722-B400_B.14-3 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-205-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
2 17:39:39 20260401-1722-B400_B.14-2 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-204-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
60 17:34:53 20260401-1633-B400_B.14-60 10 H1_Day p10102hz + + - + + + + Ref zhb-a-139v Group Procter_D
59 17:32:46 20260401-1631-B400_B.14-59 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-25D 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
59 17:21:03 20260401-1631-B400_B.14-59 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-25D Group Trowbridge_A
58 17:18:53 20260401-1624-B400_B.14-58 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-25C 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 17:07:10 20260401-1624-B400_B.14-58 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-25C Group Trowbridge_A
57 17:03:02 20260401-1622-B400_B.14-57 10 H1_Day k48162ck + + - + + + + Ref pincer-Au-OAcF Group Romanov_A
56 17:00:55 20260401-1610-B400_B.14-56 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-25B 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
56 16:49:10 20260401-1610-B400_B.14-56 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-25B Group Trowbridge_A
55 16:44:39 20260401-1609-B400_B.14-55 10 H1_Day j89178sv + + - + + + + Ref SVM - nbr extract msc Group Mcdonald_T
54 16:40:18 20260401-1608-B400_B.14-54 10 H1_Day h79891cs + + - + + + + Ref CS_CO2EGDE_8 Group Shaver_M CO2 cycloaddition to EGDE 15g scale
53 16:35:44 20260401-1600-B400_B.14-53 1230201 H1_Day j20588jh + + - + + + + Ref JA-SiRi-I-1230201 Group Willcox_D SiRI123 finished ligand after night 60C 10eq NaBH4
52 16:33:03 20260401-1557-B400_B.14-52 11 P31_Wide_Day j26946hi - + - - - + + Ref AT-HI-1-25A 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
52 16:21:06 20260401-1557-B400_B.14-52 10 H1_Quant_D1_25s_Day j26946hi + + - + + + + Ref AT-HI-1-25A Group Trowbridge_A
50 16:16:21 20260401-1542-B400_B.14-50 10 H1_Day v73981ac + + - + + + + Ref LC15P Group Larrosa_I
48 16:12:16 20260401-1454-B400_B.14-48 10 H1_Day w61916tz + + - + + + + Ref sy-tz-11-1h Group Schroder_M
47 16:08:08 20260401-1454-B400_B.14-47 10 H1_Day w61916tz + + - + + + + Ref sy-tz-10-1h Group Schroder_M
46 16:04:01 20260401-1454-B400_B.14-46 10 H1_Day w61916tz + + - + + + + Ref sy-tz-9-1h Group Schroder_M
45 15:59:30 20260401-1449-B400_B.14-45 10 H1_Day f09303eg + + - + + + + Ref SM052 Group Webb_S
44 15:55:01 20260401-1438-B400_B.14-44 10 H1_Day v73981ac + + - + + + + Ref LC46F3 Group Larrosa_I
43 15:50:31 20260401-1437-B400_B.14-43 10 H1_Day v73981ac + + - + + + + Ref LC46F2 Group Larrosa_I
42 15:45:48 20260401-1437-B400_B.14-42 10 H1_Day v73981ac + + - + + + + Ref LC46F1 Group Larrosa_I
41 15:41:23 20260401-1531-B400_B.14-41 11 F19_CPD_Day n06287cb - + - - - + + Ref IL-CB-RuAqua Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
41 15:36:47 20260401-1531-B400_B.14-41 10 H1_Day n06287cb + + - + + + + Ref IL-CB-RuAqua Group Larrosa_I
40 15:25:29 20260401-1442-B400_B.14-40 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-356D Group Procter_D
36 15:14:00 20260401-1442-B400_B.14-36 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-356C Group Procter_D
35 15:02:06 20260401-1441-B400_B.14-35 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-356B Group Procter_D
34 14:50:48 20260401-1441-B400_B.14-34 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-356A Group Procter_D
33 14:46:22 20260401-1439-B400_B.14-33 10 H1_Day a15978el + + - + + + + Ref MJJ EL04149 Group James_M
32 14:31:26 20260401-1317-B400_B.14-32 10 H1_Night128 a79330ps + + - + + + + Ref ilps378f1 Group Larrosa_I
51 14:26:08 20260401-1408-B400_B.14-51 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-193-FULL Group DeBo_G
41 14:21:05 20260401-1420-B400_B.14-41 10 H1_Day z61799af + + - + + + + Ref AF-amidatingagent Group Larrosa_I
40 14:16:13 20260401-1400-B400_B.14-40 10 H1_Day a53046hl + + - + + + + Ref QBB-G29-1hrs Group Leigh_D
39 14:13:27 20260401-1357-B400_B.14-39 11 Li7_CPD_Day mbdxrlw2 - + - - - + + Ref LW011_C6D6 Group Mills_D sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0
39 14:09:17 20260401-1357-B400_B.14-39 10 H1_Day mbdxrlw2 + + - + + + + Ref LW011_C6D6 Group Mills_D
38 14:05:08 20260401-1343-B400_B.14-38 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-2-574-cr Group Procter_D
37 14:00:59 20260401-1343-B400_B.14-37 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-2-573-cr Group Procter_D
36 13:55:07 20260401-1343-B400_B.14-36 10 H1_Quant_NS1_Day a74776dr + + - + + + + Ref DJP-DR-2-572-cr Group Procter_D
35 13:52:54 20260401-1342-B400_B.14-35 12 F19_NoCPD_Day c62220rg - + - - - + + Ref at-rg-6-64-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
35 13:49:55 20260401-1342-B400_B.14-35 11 P31_Wide_Day c62220rg - + - - - + + Ref at-rg-6-64-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
35 13:44:11 20260401-1342-B400_B.14-35 10 H1_Day c62220rg + + - + + + + Ref at-rg-6-64-p1 Group Trowbridge_A
34 13:40:07 20260401-1339-B400_B.14-34 10 H1_Day j40457bh + + - + + + + Ref bhah332 Group Trowbridge_A
33 13:34:50 20260401-1324-B400_B.14-33 10 H1_Day z88883sp + + - + + + + Ref SP419 Group Romanov_A Silica plug
31 13:29:38 20260401-1315-B400_B.14-31 10 H1_Day u67812sg + + - + + + + Ref sq-2-6-1-2 Group Procter_D
30 13:25:05 20260401-1315-B400_B.14-30 10 H1_Day u67812sg + + - + + + + Ref sq-2-6-1-1 Group Procter_D
29 13:20:38 20260401-1247-B400_B.14-29 10 H1_Day y52364mw + + - + + + + Ref GDB-MJ-195-P2 Group DeBo_G
28 13:08:53 20260401-1235-B400_B.14-28 10 H1_Quant_D1_25s_Day z16689fe + + - + + + + Ref DJP FE 259 Group Procter_D SECOND RUN
27 13:01:41 20260401-1222-B400_B.14-27 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05 -203-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
26 12:54:34 20260401-1222-B400_B.14-26 10 F19_Quant_D1_8s_Day y83900an + + - + + + + Ref IL-AMN-05-202-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
25 12:50:17 20260401-1214-B400_B.14-25 10 H1_Day d93111sd + + - + + + + Ref IL-SD-224k Group Larrosa_I
24 12:45:28 20260401-1214-B400_B.14-24 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-178k 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
24 12:41:10 20260401-1214-B400_B.14-24 10 H1_Day d93111sd + + - + + + + Ref IL-SD-178k Group Larrosa_I
23 12:33:39 20260401-1213-B400_B.14-23 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-284a Group Larrosa_I sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23 12:27:34 20260401-1213-B400_B.14-23 10 H1_Day d93111sd + + - + + + + Ref IL-SD-284a Group Larrosa_I
22 12:23:08 20260401-1211-B400_B.14-22 10 H1_Day m46745sw + + - + + + + Ref s-test2 Group Natrajan_L
21 12:16:47 20260401-1206-B400_B.14-21 11 H1_COSY_Day v73981ac - + - - - + + Ref ILAC195A-p2-Dry Group Larrosa_I
21 12:10:30 20260401-1206-B400_B.14-21 10 H1_Quant_NS1_Day v73981ac + + - + + + + Ref ILAC195A-p2-Dry Group Larrosa_I
20 11:58:42 20260401-1153-B400_B.14-20 10 H1_Quant_D1_25s_Day a79330ps + + - + + + + Ref ILP378F1 Group Larrosa_I
16 11:54:12 20260401-1144-B400_B.14-16 10 H1_Day j40457bh + + - + + + + Ref bh ah 327 c1 fr 31+ Group Trowbridge_A
15 11:49:26 20260401-1144-B400_B.14-15 10 H1_Day j40457bh + + - + + + + Ref bh ah 327 c1 fr19-21 Group Trowbridge_A
14 11:45:17 20260401-1144-B400_B.14-14 10 H1_Day j40457bh + + - + + + + Ref bh ah 333 c1s3 Group Trowbridge_A
19 11:32:21 20260401-1122-B400_B.14-19 11 H1_COSY_Day z40973rs - + - - - + + Ref gdb-tlt-24 Group DeBo_G
19 11:28:02 20260401-1122-B400_B.14-19 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-24 Group DeBo_G
18 11:23:29 20260401-1120-B400_B.14-18 10 H1_Day x73847lm + + - + + + + Ref IR_LJM-01-94 CD3CN Group Riddell_I
17 11:19:59 20260401-1114-B400_B.14-17 11 F19_CPD_Day q25190ha - + - - - + + Ref REPW HA30 Group Winpenny_R sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
17 11:15:25 20260401-1114-B400_B.14-17 10 H1_Day q25190ha + + - + + + + Ref REPW HA30 Group Winpenny_R
7 11:11:47 20260401-1111-B400_B.14-7 10 H1_Quant_NS1_Day v73981ac + + - + - + + Ref ILAC195A-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/20260401-1111-B400_B.14-7/10/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/20260401-1111-B400_B.14-7/10/pdata/1/peaks!
8 10:56:19 20260401-1042-B400_B.14-8 10 H1_Day h91839em + + - + + + + Ref DC-NaphtBisAmine-Batch3 Group Leigh
7 10:50:40 20260401-1046-B400_B.14-7 10 H1_Day m46745sw + + - + + + + Ref S-TEST Group Natrajan_L
6 10:44:42 20260401-1039-B400_B.14-6 10 H1_Day j53590ed + + - + + + + Ref ED1-063A_col_wash Group Greaney_M
5 10:40:14 20260401-1039-B400_B.14-5 10 H1_Day j53590ed + + - + + + + Ref ED1-063A_col_14-18 Group Greaney_M
13 10:20:08 20260401-1014-B400_B.14-13 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-2-32-2 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13 10:15:28 20260401-1014-B400_B.14-13 10 H1_Day u67812sg + + - + + + + Ref sq-2-32-2 Group Procter_D
11 10:08:09 20260401-1007-B400_B.14-11 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-35A Group Riddell_I
12 10:01:17 20260401-0953-B400_B.14-12 11 Li7_CPD_Day mbdxrlw2 - + - - - + + Ref LW011_ALIQUOT_2DAY Group Mills_D sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '7Li' not defined for SOLVENT 'C6D6' SR is set to 0.0
12 09:54:59 20260401-0953-B400_B.14-12 10 H1_Wide_Day mbdxrlw2 + + - + + + + Ref LW011_ALIQUOT_2DAY Group Mills_D
11 09:47:01 20260401-0935-B400_B.14-11 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-35A Group Riddell_I
10 09:32:06 20260401-0922-B400_B.14-10 11 C13_CPD_Night256 u67812sg - + - - - + + Ref sq-2-32 Group Procter_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10 09:26:41 20260401-0922-B400_B.14-10 10 H1_Day u67812sg + + - + + + + Ref sq-2-32 Group Procter_D
9 09:22:09 20260401-0810-B400_B.14-9 11 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-MuNa Group Riddell_I
8 09:17:40 20260401-0809-B400_B.14-8 11 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-Mu Group Riddell_I
1 09:03:08 20260331-1039-B400_B.12-1 10 H1_make_shim.icon service + + - + + + + Ref sucrose shim Group Service
4 08:58:48 20260401-0808-B400_B.14-4 13 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C153 Group Riddell_I
3 08:54:43 20260401-0807-B400_B.14-3 11 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C343 Group Riddell_I
2 08:50:34 20260401-0807-B400_B.14-2 11 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C6 Group Riddell_I
10 08:37:06 20260401-0813-B400_B.14-10 10 H1_Day m14269jw + + - + + + + Ref IR-JW-3084-Comp-Rest48hrs Group Riddell_I
9 08:32:48 20260401-0810-B400_B.14-9 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-MuNa Group Riddell_I
8 08:28:41 20260401-0809-B400_B.14-8 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-Mu Group Riddell_I
4 08:24:01 20260401-0808-B400_B.14-4 12 F19_Quant_D1_8s_Day m14269jw - + - - - + + Ref IR-JW-4036-C153 Group Riddell_I 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
4 08:21:24 20260401-0808-B400_B.14-4 11 F19_CPD_Day m14269jw - + - - - + + Ref IR-JW-4036-C153 Group Riddell_I 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
4 08:17:05 20260401-0808-B400_B.14-4 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C153 Group Riddell_I
3 08:13:08 20260401-0807-B400_B.14-3 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C343 Group Riddell_I
2 08:08:43 20260401-0807-B400_B.14-2 10 H1_Day m14269jw + + - + + + + Ref IR-JW-4036-C6 Group Riddell_I
4 07:16:36 20260401-0649-B400_B.14-4 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-287 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 07:11:39 20260401-0649-B400_B.14-4 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-287 Group Larrosa_I
3 07:06:54 20260401-0649-B400_B.14-3 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-286 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 07:01:56 20260401-0649-B400_B.14-3 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-286 Group Larrosa_I
2 06:56:24 20260401-0649-B400_B.14-2 11 F19_Quant_D1_8s_Day d93111sd - + - - - + + Ref IL-SD-285 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 06:50:17 20260401-0649-B400_B.14-2 10 H1_Quant_NS1_Day d93111sd + + - + + + + Ref IL-SD-285 Group Larrosa_I
51 23:10:49 20260331-2020-B400_B.14-51 14 H1_C13_HMBC_US_Night y52364mw - + - - - + + Ref GDB-MJ-195-FULL Group DeBo_G
51 22:58:31 20260331-2020-B400_B.14-51 13 H1_C13_HSQC_US_Night y52364mw - + - - - + + Ref GDB-MJ-195-FULL Group DeBo_G
51 22:35:48 20260331-2020-B400_B.14-51 12 H1_COSY_HiRes_Night y52364mw - + - - - + + Ref GDB-MJ-195-FULL Group DeBo_G
51 21:41:49 20260331-2020-B400_B.14-51 11 C13_CPD_Night256 y52364mw - + - - - + + Ref GDB-MJ-195-FULL Group DeBo_G sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 21:37:07 20260331-2020-B400_B.14-51 10 H1_Night y52364mw + + - + + + + Ref GDB-MJ-195-FULL Group DeBo_G
60 21:22:42 20260331-1820-B400_B.14-60 11 C13_CPD_Night256 q50682hk - + - - - + + Ref HK-138-B-TB Group Willcox_D
60 21:18:25 20260331-1820-B400_B.14-60 10 H1_Night q50682hk + + - + + + + Ref HK-138-B-TB Group Willcox_D
59 21:03:52 20260331-1819-B400_B.14-59 11 C13_CPD_Night256 q50682hk - + - - - + + Ref HK-138-ATB Group Willcox_D sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59 20:58:33 20260331-1819-B400_B.14-59 10 H1_Night q50682hk + + - + + + + Ref HK-138-ATB Group Willcox_D
3 20:34:24 20260331-1812-B400_B.14-3 10 H1_Quant_d1_56s_Night m56482jm + + - + + + + Ref SB_85 Group Cobb_S
58 20:29:28 20260331-1803-B400_B.14-58 10 H1_Day m19368jb + + - + + + + Ref AK-JB-45C Group Keerthi_A Juliet Barclay JB-45C CDCL3
50 20:14:55 20260331-1748-B400_B.14-50 12 C13_CPD_Night256 g51050xx - + - - - + + Ref xxt-24 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50 20:00:29 20260331-1748-B400_B.14-50 11 H1_COSY_HiRes_Night g51050xx + + - + + + + Ref xxt-24 Group Gardiner_J
49 19:43:48 20260331-1741-B400_B.14-49 11 C13_CPD_Night256 r25963ar + + - + + + + Ref PyrPt_Cl Cyclomet Group Romanov_A PyrPt_Cl Cyclometv sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48 19:27:00 20260331-1738-B400_B.14-48 11 C13_CPD_Night256 j40457bh + + - + + + + Ref bh ah 327 c1 fr25-38 Group Trowbridge_A sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44 19:20:01 20260331-1650-B400_B.14-44 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-h-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
51 19:05:09 20260331-1749-B400_B.14-51 12 C13_CPD_Night256 g51050xx - + - - - + + Ref xxt-25 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51 18:51:00 20260331-1749-B400_B.14-51 11 H1_COSY_HiRes_Night g51050xx + + - + + + + Ref xxt-25 Group Gardiner_J
57 18:46:26 20260331-1802-B400_B.14-57 10 H1_Day m19368jb + + - + + + + Ref AK-JB-44-39 Group Keerthi_A Juliet Barclay JB-44-39 CDCl3
56 18:41:30 20260331-1758-B400_B.14-56 10 H1_Day a53046hl + + - + + + + Ref AT-01-61-ch Group Leigh_D
55 18:37:23 20260331-1757-B400_B.14-55 1270101 H1_Day j20588jh + + - + + + + Ref JA-SiRi-I-1270101 Group Willcox_D SiRi127 SbCyNNN 100 mg
54 18:33:24 20260331-1756-B400_B.14-54 1260101 H1_Day j20588jh + + - + + + + Ref JA-SiRi-I-1260101 Group Willcox_D SiRi126 SbXylylNNN 100 mg
53 18:29:09 20260331-1754-B400_B.14-53 1240101 H1_Day j20588jh + + - + + + + Ref JA-SiRi-I-1240101 Group Willcox_D SiRi124 finished ligand BH3CN
52 18:25:01 20260331-1753-B400_B.14-52 1230101 H1_Day j20588jh + + - + + + + Ref JA-SiRi-I-1230101 Group Willcox_D SiRi123 finished ligand BH4
51 18:20:29 20260331-1749-B400_B.14-51 10 H1_Day g51050xx + + - + + + + Ref xxt-25 Group Gardiner_J
50 18:16:01 20260331-1748-B400_B.14-50 10 H1_Day g51050xx + + - + + + + Ref xxt-24 Group Gardiner_J
49 18:11:34 20260331-1741-B400_B.14-49 10 H1_Day r25963ar + + - + + + + Ref PyrPt_Cl Cyclomet Group Romanov_A PyrPt_Cl Cyclomet
48 18:06:39 20260331-1738-B400_B.14-48 10 H1_Day j40457bh + + - + + + + Ref bh ah 327 c1 fr25-38 Group Trowbridge_A
47 18:02:02 20260331-1737-B400_B.14-47 10 H1_Day j40457bh + + - + + + + Ref bh ah 331 c1s1 Group Trowbridge_A
46 17:50:19 20260331-1734-B400_B.14-46 10 H1_Quant_D1_25s_Day z40241jm + + - + + + + Ref DJP-JIM-8-061-1b Group Procter_D
45 17:38:42 20260331-1734-B400_B.14-45 10 H1_Quant_D1_25s_Day z40241jm + + - + + + + Ref DJP-JIM-8-061-1a Group Procter_D
43 17:31:39 20260331-1650-B400_B.14-43 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-g-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
42 17:24:27 20260331-1649-B400_B.14-42 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-f-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
41 17:14:37 20260331-1649-B400_B.14-41 10 F19_Quant_D1_8s_Day w12998gm + + - + + + + Ref il-gm-10-042-e-crde 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
47 17:09:36 20260331-1652-B400_B.14-47 10 H1_Day a53046hl + + - + + + + Ref ph-660-rr-pt-20h Group Leigh_D
46 17:05:25 20260331-1651-B400_B.14-46 10 H1_Day w61916tz + + - + + + + Ref sy-tz-8-20260325A-4 Group Schroder_M
45 17:00:44 20260331-1651-B400_B.14-45 10 H1_Day w61916tz + + - + + + + Ref sy-tz-7-20260325A-3 Group Schroder_M
40 16:56:22 20260331-1645-B400_B.14-40 10 H1_Day k48162ck + + - + + + + Ref py-urea Group Romanov_A
39 16:51:41 20260331-1618-B400_B.14-39 10 H1_Day e72206ov + + - + + + + Ref ov-011-c 24 vac retestt Group DeBo_G
38 16:47:04 20260331-1612-B400_B.14-38 10 H1_Day j40457bh + + - + + + + Ref bh ah 331 2 Group Trowbridge_A
37 16:32:09 20260331-1609-B400_B.14-37 11 Si29_CPD_Day a77256kr - + - - - + + Ref CAPG_KMRM_034b Group Goodwin_C cold ether wash sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/a77256kr/nmr/20260331-1609-B400_B.14-37/11/pdata/1/peaks!, sref: NUCLEUS '29Si' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Goodwin_C/data/a77256kr/nmr/20260331-1609-B400_B.14-37/11/pdata/1/peaks!
37 16:27:52 20260331-1609-B400_B.14-37 10 H1_Day a77256kr + + - + + + + Ref CAPG_KMRM_034b Group Goodwin_C cold ether wash
36 16:22:08 20260331-1607-B400_B.14-36 10 H1_Day f11141tm + + - + + + + Ref fanghao D2SO4 Group Schroder_M
35 16:17:22 20260331-1544-B400_B.14-35 10 H1_Day k03582jd + + - + + + + Ref JDR100 Group Procter_D
34 16:13:12 20260331-1551-B400_B.14-34 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-14-cru Group DeBo_G
33 16:08:42 20260331-1550-B400_B.14-33 10 H1_Day z40973rs + + - + + + + Ref gdb-tlt-13? Group DeBo_G
32 15:57:07 20260331-1545-B400_B.14-32 10 H1_Quant_D1_25s_Day q62112nk + + - + + + + Ref djp-nk-353-B-r2 Group Procter_D
31 15:52:26 20260331-1542-B400_B.14-31 10 H1_Day k03582jd + + - + + + + Ref JDR99 Group Procter_D
30 15:47:32 20260331-1542-B400_B.14-30 10 H1_Day k03582jd + + - + + + + Ref JDR98 Group Procter_D
29 15:42:35 20260331-1542-B400_B.14-29 10 H1_Day k03582jd + + - + + + + Ref JDR97 Group Procter_D
28 15:21:59 20260331-1521-B400_B.14-28 10 H1_Day a15978el + + - + + + + Ref MJJ EL-04-148 plug Group James_M
27 15:13:36 20260331-1512-B400_B.14-27 10 H1_Day e72206ov + + - + + + + Ref ov-010.6-c, post tol vap Group DeBo_G
26 14:56:37 20260331-1455-B400_B.14-26 10 H1_Day mbdxrjr4 + + - + + + + Ref MFG-JR-086-C Group Greaney_M
23 13:54:52 20260331-1249-B400_B.14-23 11 C13_CPD_Night256 p10556ha - + - - - + + Ref Ha203 f1 Group Gardiner_J sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23 13:47:37 20260331-1249-B400_B.14-23 10 H1_Night p10556ha + + - + + + + Ref Ha203 f1 Group Gardiner_J
25 13:43:08 20260331-1328-B400_B.14-25 10 H1_Day j40457bh + + - + + + + Ref bhah294deg Group Trowbridge_A
24 13:39:01 20260331-1328-B400_B.14-24 10 H1_Day j40457bh + + - + + + + Ref bh ah 327 fed2 Group Trowbridge_A
22 13:29:57 20260331-1241-B400_B.14-22 10 H1_Day m46745sw + + - + x + + Ref SM1-2-FUELED2 Group Natrajan_L topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
21 13:24:57 20260331-1235-B400_B.14-21 10 H1_Day e72206ov + + - + + + + Ref ov-010.6-b 24 h vac retestt Group DeBo_G
20 13:20:24 20260331-1234-B400_B.14-20 10 H1_Day e72206ov + + - + + + + Ref ov-010.6-b 'full' reytest weeks later Group DeBo_G
19 13:15:38 20260331-1233-B400_B.14-19 10 H1_Day e72206ov + + - + + + + Ref ov-011-a F2 retest weeks later Group DeBo_G
18 13:11:17 20260331-1220-B400_B.14-18 10 H1_Day a53046hl + + - + + + + Ref mc072stau-20-18h Group Leigh_D
17 13:06:31 20260331-1219-B400_B.14-17 10 H1_Day a53046hl + + - + + + + Ref mc070redam-p Group Leigh_D
16 13:02:10 20260331-1215-B400_B.14-16 10 H1_Day z92209cg + + - + + + + Ref GCU-005-Polyrotaxane-2nd Group Leigh_D
15 12:57:10 20260331-1214-B400_B.14-15 10 H1_Day z92209cg + + - + + + + Ref GCU-005-Polyrotaxane-3rd Group Leigh_D
14 12:53:06 20260331-1213-B400_B.14-14 10 H1_Day z92209cg + + - + + + + Ref GCU-Bisamine-amide-re Group Leigh_D
13 12:48:35 20260331-1208-B400_B.14-13 10 H1_Day x73847lm + + - + + + + Ref IR-LJM-02-28 F60 Group Riddell_I
12 12:37:05 20260331-1203-B400_B.14-12 10 H1_Quant_D1_25s_Day a79330ps + + - + + + + Ref ILPS378 Group Larrosa_I
11 12:32:53 20260331-1151-B400_B.14-11 10 H1_Day m46745sw + + - + + + + Ref SM1-2-FUELED Group Natrajan_L
10 12:32:45 20260331-1148-B400_B.14-10 10 H1_Day e72206ov x - - - - - - Ref ov-010.6-b 24 vac retestt Group DeBo_G WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.10'.
9 12:32:30 20260331-1147-B400_B.14-9 10 H1_Day e72206ov x - - - - - - Ref ov-010.6-b full retest weeks later Group DeBo_G WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.9'.
11 12:25:01 20260331-1151-B400_B.14-11 10 H1_Day m46745sw x - - - - - - Ref SM1-2-FUELED Group Natrajan_L WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
10 12:19:59 20260331-1148-B400_B.14-10 10 H1_Day e72206ov x - - - - - - Ref ov-010.6-b 24 vac retestt Group DeBo_G WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
9 12:19:44 20260331-1147-B400_B.14-9 10 H1_Day e72206ov - - - - - - - Ref ov-010.6-b full retest weeks later Group DeBo_G
8 12:10:49 20260331-1200-B400_B.14-8 10 H1_Day z86427mk + + - + x + + Ref MK-312-B Group Procter_D topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
7 12:06:25 20260331-1150-B400_B.14-7 10 H1_Day m46745sw + + - + + + + Ref SM1-2-PRE Group Natrajan_L
6 12:01:43 20260331-1149-B400_B.14-6 10 H1_Day j53590ed + + - + + + + Ref ED1-062_col_2 Group Greaney_M
5 11:57:12 20260331-1147-B400_B.14-5 10 H1_Day e72206ov + + - + + + + Ref ov-012-b 24h vac retestt Group DeBo_G
4 11:52:57 20260331-1146-B400_B.14-4 10 H1_Day e72206ov + + - + + + + Ref ov-011-c vac 24h retestt Group DeBo_G
3 11:48:14 20260331-1145-B400_B.14-3 10 H1_Day e72206ov + + - + + + + Ref OV-011-A F2 FULLRETEST WEEKS LATER Group DeBo_G
2 11:45:41 20260331-1138-B400_B.14-2 11 Li7_CPD_Day mbdxrlw2 - + - - - + + Ref LW011_ALIQUOT Group Mills_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/Mills_D/data/mbdxrlw2/nmr/20260331-1138-B400_B.14-2/11/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/Mills_D/data/mbdxrlw2/nmr/20260331-1138-B400_B.14-2/11/pdata/1/peaks!
2 11:38:49 20260331-1138-B400_B.14-2 10 H1_Day mbdxrlw2 + + - + + + + Ref LW011_ALIQUOT Group Mills_D