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IconNMR Automation Run Status:
Day Experiments: 00:00
Busy Until: Fri 15:03
Night Experiments: 00:00

Setup List
Holder Status Name ExpNo Experiment User Time Title
30 Completed SC-LSM-PR-N14-A 1 N C13CPD_SIENA 1D 13C w/1H decoupling schoud 00:44:56
31 Completed AM-1-301 1 N PROTON_SPIN 1H experiment spin on amars 00:01:17
31 Completed AM-1-301 2 N C13CPD_SIENA 1D 13C w/1H decoupling amars 00:22:30
31 Completed AM-1-301 3 N AACOSY 2D 1H-1H COSY amars 00:07:20
31 Completed AM-1-301 4 N AAHSQC echo/antiecho edited HSQC w/sensitivity improvement w/adiabatic bilevel decoupling w/adiabatic refocussing (w/ gradients in back-INEPT) amars 00:18:33
31 Completed AM-1-301 5 N AAHMBC HMBCGPND amars 00:32:21
32 Completed AA-P3_RU_50 1 N C13CPD_POLYMER aadhik 01:14:16
33 Completed AA-M3 1 N C13CPD_SIENA 1D 13C w/1H decoupling aadhik 00:22:30
34 Completed NL-Bn3UO2-EtOAcwash-20250911 1 N PROTON_SPIN 1H experiment spin on nlind 00:01:17
35 Completed JR-1-153 pH 9.35 1 N PROTON_SPIN 1H experiment spin on jrana 00:01:17
35 Completed JR-1-153 pH 9.35 2 N P31CPD 31P exp. comp. pulse decoupling jrana 00:06:19
36 Completed MeOH 1 N PROTON_SPIN 1H experiment spin on nmark 00:01:17
37 Error HCl-CCL 1 N ligninHSQC 2D 1H-13C HSQC (non-edited); 1td 256; 1sw 210ppm; ns 16 nmark 02:23:26
38 Completed NL-Me3UO2-20250911-CD3CN 1 N PROTON_SPIN 1H experiment spin on nlind 00:01:17
38 Completed NL-Me3UO2-20250911-CD3CN 2 N C13CPD_SIENA 1D 13C w/1H decoupling nlind 00:22:30
38 Completed NL-Me3UO2-20250911-CD3CN 3 N C13DEPT135_SIENA 1D 13C DEPT135 nlind 00:13:38
38 Completed NL-Me3UO2-20250911-CD3CN 4 N AACOSY 1H-1H COSY nlind 00:07:20
38 Completed NL-Me3UO2-20250911-CD3CN 5 N AANOESY 1H-1H NOESY nlind 00:20:47
38 Completed NL-Me3UO2-20250911-CD3CN 6 N AAHSQC echo/antiecho edited HSQC w/sensitivity improvement w/adiabatic bilevel decoupling w/adiabatic refocussing (w/ gradients in back-INEPT) nlind 00:18:33
38 Completed NL-Me3UO2-20250911-CD3CN 7 N AAHMBC HMBCGPND nlind 00:32:21
39 Completed PB-2025-199 1 N PROTON_SPIN 1H experiment spin on pbonagi 00:01:17
39 Completed PB-2025-199 2 N C13CPD_SIENA 1D 13C w/1H decoupling pbonagi 00:22:30
40 Completed JR-1-153 PH 8.2 50 min 1 N PROTON_SPIN 1H experiment spin on jrana 00:01:17
40 Completed JR-1-153 PH 8.2 50 min 2 N P31CPD 31P exp. comp. pulse decoupling jrana 00:06:19
41 Completed JG-01-154-cis-crystals-C6D6-955am 1 N PROTON_SPIN 1H experiment spin on jgipper 00:00:42
41 Completed JG-01-154-cis-crystals-C6D6-955am 2 N PROTON_SPIN 1H experiment spin on jgipper 00:00:44
41 Completed JG-01-154-cis-crystals-C6D6-955am 3 N PROTON_SPIN 1H experiment spin on jgipper 00:00:30
41 Completed JG-01-154-cis-crystals-C6D6-955am 4 N P31CPD 31P exp. comp. pulse decoupling jgipper 00:00:44
41 Completed JG-01-154-cis-crystals-C6D6-955am 5 N P31CPD 31P exp. comp. pulse decoupling jgipper 00:00:46
41 Completed JG-01-154-cis-crystals-C6D6-1020am 10 N PROTON_SPIN 1H experiment spin on jgipper 00:00:30
41 Completed JG-01-154-cis-crystals-C6D6-1055am 11 N PROTON_SPIN 1H experiment spin on jgipper 00:00:30
41 Completed JG-01-154-cis-crystals-C6D6-1155am 12 N PROTON_SPIN 1H experiment spin on jgipper 00:00:30
41 Completed JG-01-154-cis-crystals-C6D6-1155am 13 N P31CPD 31P exp. comp. pulse decoupling jgipper 00:00:44
43 Completed FG-1-103 9 N PROTON_SPIN 1H experiment spin on fgonzal 00:00:31
43 Completed FG-1-103 10 N P31CPD 31P exp. comp. pulse decoupling fgonzal 00:00:49
44 Completed FG-1-108 7 N PROTON_SPIN 1H experiment spin on fgonzal 00:00:31
44 Completed FG-1-108 8 N P31CPD 31P exp. comp. pulse decoupling fgonzal 00:00:49
45 Completed FG-1-109 1 N PROTON_SPIN 1H experiment spin on fgonzal 00:00:31
45 Completed FG-1-109 2 N P31CPD 31P exp. comp. pulse decoupling fgonzal 00:00:49
45 Completed FG-1-109 3 N PROTON_SPIN 1H experiment spin on fgonzal 00:00:31
45 Completed FG-1-109 4 N P31CPD 31P exp. comp. pulse decoupling fgonzal 00:00:49
48 Completed FG-1-109 5 N PROTON_SPIN 1H experiment spin on fgonzal 00:01:17
48 Completed FG-1-109 6 N PROTON_SPIN 1H experiment spin on fgonzal 00:00:31
48 Completed FG-1-109 7 N P31CPD 31P exp. comp. pulse decoupling fgonzal 00:00:49
History List
Holder Time Name ExpNo Experiment User Load Atma Spin Lock Shim Acq Proc Title Remarks
48 15:01:48 FG-1-109 7 P31CPD fgonzal - + + - - + -
48 15:00:18 FG-1-109 6 PROTON_SPIN fgonzal - + + - - + +
48 14:55:47 FG-1-109 5 PROTON_SPIN fgonzal + + + + + + +
45 14:16:11 FG-1-109 4 P31CPD fgonzal - + + - - + +
45 14:12:08 FG-1-109 3 PROTON_SPIN fgonzal + + + + + + +
45 12:20:15 FG-1-109 2 P31CPD fgonzal - + + - - + +
45 12:16:13 FG-1-109 1 PROTON_SPIN fgonzal + + + + + + +
44 12:13:53 FG-1-108 8 P31CPD fgonzal - + + - - + +
44 12:09:59 FG-1-108 7 PROTON_SPIN fgonzal + + + + + + +
43 12:07:31 FG-1-103 10 P31CPD fgonzal - + + - - + +
43 12:03:35 FG-1-103 9 PROTON_SPIN fgonzal + + + + + + +
41 11:58:36 JG-01-154-cis-crystals-C6D6-1155am 13 P31CPD jgipper - + + - - + + pp: Cannot find any peak for scaling in /opt/topspin/data/jgipper/nmr/JG-01-154-cis-crystals-C6D6-1155am/13/pdata/1/peaks!, pp: Cannot find any peak for scaling in /opt/topspin/data/jgipper/nmr/JG-01-154-cis-crystals-C6D6-1155am/13/pdata/1/peaks!
41 11:55:00 JG-01-154-cis-crystals-C6D6-1155am 12 PROTON_SPIN jgipper + + + + + + +
41 10:55:00 JG-01-154-cis-crystals-C6D6-1055am 11 PROTON_SPIN jgipper + + + + + + +
41 10:20:01 JG-01-154-cis-crystals-C6D6-1020am 10 PROTON_SPIN jgipper + + + + + + +
41 10:03:49 JG-01-154-cis-crystals-C6D6-955am 5 P31CPD jgipper - + + - - + + pp: Cannot find any peak for scaling in /opt/topspin/data/jgipper/nmr/JG-01-154-cis-crystals-C6D6-955am/5/pdata/1/peaks!, pp: Cannot find any peak for scaling in /opt/topspin/data/jgipper/nmr/JG-01-154-cis-crystals-C6D6-955am/5/pdata/1/peaks!
41 10:02:18 JG-01-154-cis-crystals-C6D6-955am 3 PROTON_SPIN jgipper - + + - - + +
41 09:58:58 JG-01-154-cis-crystals-C6D6-955am 4 P31CPD jgipper - + + - - + + pp: Cannot find any peak for scaling in /opt/topspin/data/jgipper/nmr/JG-01-154-cis-crystals-C6D6-955am/4/pdata/1/peaks!, pp: Cannot find any peak for scaling in /opt/topspin/data/jgipper/nmr/JG-01-154-cis-crystals-C6D6-955am/4/pdata/1/peaks!
41 09:57:14 JG-01-154-cis-crystals-C6D6-955am 2 PROTON_SPIN jgipper - + + - - + +
41 09:52:12 JG-01-154-cis-crystals-C6D6-955am 1 PROTON_SPIN jgipper + + + + + + +
39 00:11:26 PB-2025-199 2 C13CPD_SIENA pbonagi - + + - - + +
39 00:05:45 PB-2025-199 1 PROTON_SPIN pbonagi + + + + + + +
38 23:32:19 NL-Me3UO2-20250911-CD3CN 7 AAHMBC nlind - + + - - + +
38 23:12:23 NL-Me3UO2-20250911-CD3CN 6 AAHSQC nlind - + + - - + +
38 22:50:48 NL-Me3UO2-20250911-CD3CN 5 AANOESY nlind - + + - - + +
38 22:42:22 NL-Me3UO2-20250911-CD3CN 4 AACOSY nlind - + + - - + +
38 22:27:17 NL-Me3UO2-20250911-CD3CN 3 C13DEPT135_SIENA nlind - + + - - + +
38 22:03:28 NL-Me3UO2-20250911-CD3CN 2 C13CPD_SIENA nlind - + + - - + +
38 21:58:08 NL-Me3UO2-20250911-CD3CN 1 PROTON_SPIN nlind + + + + + + +
37 19:30:58 HCl-CCL 1 ligninHSQC nmark + + + + + + x proc_2dinv: only one peak was found in the 2D file, phase correction aborted, proc_2dinv: only one peak was found in the 2D file, phase correction aborted
36 19:25:24 MeOH 1 PROTON_SPIN nmark + + + + + + +
33 18:57:44 AA-M3 1 C13CPD_SIENA aadhik + + + + + + +
32 17:38:42 AA-P3_RU_50 1 C13CPD_POLYMER aadhik + + + + + + +
35 17:29:43 JR-1-153 pH 9.35 2 P31CPD jrana - + + - - + + 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
35 17:24:36 JR-1-153 pH 9.35 1 PROTON_SPIN jrana + + + + + + +
34 17:19:17 NL-Bn3UO2-EtOAcwash-20250911 1 PROTON_SPIN nlind + + + + + + +
31 16:45:01 AM-1-301 5 AAHMBC amars - + + - - + +
31 16:25:06 AM-1-301 4 AAHSQC amars - + + - - + +
31 16:16:40 AM-1-301 3 AACOSY amars - + + - - + +
31 15:50:40 AM-1-301 2 C13CPD_SIENA amars - + + - - + +
31 15:44:36 AM-1-301 1 PROTON_SPIN amars + + + + + + +
40 15:33:51 JR-1-153 PH 8.2 50 min 2 P31CPD jrana - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
40 15:27:56 JR-1-153 PH 8.2 50 min 1 PROTON_SPIN jrana + + + + x + + topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
30 14:37:41 SC-LSM-PR-N14-A 1 C13CPD_SIENA schoud + + + + + + +
39 14:34:47 FG-1-104 6 P31CPD fgonzal - + + - - + +
39 14:29:36 FG-1-104 5 PROTON_SPIN fgonzal + + + + + + +
38 14:24:27 NL-Me3UO2-20250911 1 PROTON_SPIN nlind + + + + + + +
37 14:18:38 NL-Bn3UO2-20250911 1 PROTON_SPIN nlind + + + + + + +
40 14:10:51 JR-1-153 pH 8.2 0 min 2 P31CPD jrana - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
40 14:06:03 JR-1-153 pH 8.2 0 min 1 PROTON_SPIN jrana + + + + + + +
35 13:58:15 JR-1-153 pH 5.21 45 min 2 P31CPD jrana - + + - - + + 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
35 13:53:21 JR-1-153 pH 5.21 45 min 1 PROTON_SPIN jrana + + + + + + +
34 13:43:30 JR-1-153 pH 7.47 45 min 2 P31CPD jrana - + + - - + + 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
34 13:38:42 JR-1-153 pH 7.47 45 min 1 PROTON_SPIN jrana + + + + + + +
29 13:11:52 RS-6-64 1 C13CPD_SIENA rsilver + + + + + + +
28 13:09:15 FG-1-103 8 P31CPD fgonzal - + + - - + +
28 13:02:01 FG-1-103 7 PROTON_SPIN fgonzal + + + + + + +
26 12:51:18 JR-1-153 pH 5.21 35 min 2 P31CPD jrana - + + - - + + 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
26 12:46:29 JR-1-153 pH 5.21 35 min 1 PROTON_SPIN jrana + + + + + + +
25 12:38:43 JR-1-153 pH 7.47 35 min 2 P31CPD jrana - + + - - + + 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 12:34:20 JR-1-153 pH 7.47 35 min 1 PROTON_SPIN jrana + + + + + + +
48 11:49:20 JR-1-153 pH 5.21 0 min 2 P31CPD jrana - + + - - + + 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 11:44:02 JR-1-153 pH 5.21 0 min 1 PROTON_SPIN jrana + + + + + + +
47 11:35:30 JR-1-153 pH 7.47 0 min 2 P31CPD jrana - + + - - + + 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
47 11:30:32 JR-1-153 pH 7.47 0 min 1 PROTON_SPIN jrana + + + + + + +
45 11:07:21 JR-1-153 MPA 2 P31CPD jrana - + + - - + + 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 11:02:23 JR-1-153 MPA 1 PROTON_SPIN jrana + + + + + + +
43 10:03:15 KG_01_70_Heat22hr 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_Heat22hr/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_Heat22hr/2/pdata/1/peaks!
43 09:59:34 KG_01_70_Heat22hr 1 PROTON_SPIN kgour + + + + + + +
41 09:14:29 FG-1-108 6 P31CPD fgonzal - + + - - + +
41 09:09:55 FG-1-108 5 PROTON_SPIN fgonzal + + + + + + +
37 06:55:06 Gly_250909 1 PROTON_SPIN ligandpharma - + + - - + + NoD pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/ligandpharma/nmr/Gly_250909/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/ligandpharma/nmr/Gly_250909/1/pdata/1/peaks!
37 02:45:08 Gly_250909 2 C13CPD_SIENA ligandpharma + + + + x + + NoD topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/ligandpharma/nmr/Gly_250909/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/ligandpharma/nmr/Gly_250909/2/pdata/1/peaks!
36 22:35:00 Berberine_20mg_Cap-Gly_250909 2 C13CPD_SIENA ligandpharma + + + + x + + NoD topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/ligandpharma/nmr/Berberine_20mg_Cap-Gly_250909/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/ligandpharma/nmr/Berberine_20mg_Cap-Gly_250909/2/pdata/1/peaks!
47 19:40:15 RS-6-62 2 C13CPD_SIENA rsilver + + + + + + +
44 19:06:49 ss-13-110-pp-band2 5 AAHMBC ssathya - + + - - + +
44 18:46:53 ss-13-110-pp-band2 4 AAHSQC ssathya - + + - - + +
44 18:38:29 ss-13-110-pp-band2 3 AACOSY ssathya - + + - - + +
44 18:14:34 ss-13-110-pp-band2 2 C13CPD_SIENA ssathya - + + - - + +
44 18:08:43 ss-13-110-pp-band2 1 PROTON_SPIN ssathya + + + + + + +
40 17:44:53 AB-01-430-VIAL 2 C13CPD_SIENA ajiskani - + + - - + +
40 17:38:22 AB-01-430-VIAL 1 PROTON_SPIN ajiskani + + + + + + +
39 17:35:38 AB-01-430-EP 2 PROTON ajiskani - + + - - + +
39 17:08:58 AB-01-430-EP 1 C13CPD_SIENA ajiskani + + + + + + +
35 17:04:22 JG-01-157-CDCl3 2 P31CPD jgipper - + + - - + + 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 16:58:43 JG-01-157-CDCl3 1 PROTON_SPIN jgipper + + + + + + +
34 16:52:58 JG-01-158-D2O 1 PROTON_SPIN jgipper + + + + + + + pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-158-D2O/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-158-D2O/1/pdata/1/peaks!
31 16:19:20 FG-1-104 4 P31CPD fgonzal - + + - - + +
31 16:15:19 FG-1-104 3 PROTON_SPIN fgonzal + + + + + + +
29 16:08:38 KG_01_70_Heat5hr 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_Heat5hr/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_Heat5hr/2/pdata/1/peaks!
29 16:04:47 KG_01_70_Heat5hr 1 PROTON_SPIN kgour + + + + + + +
27 15:05:57 FG-1-108 4 P31CPD fgonzal - + + - - + +
27 15:02:02 FG-1-108 3 PROTON_SPIN fgonzal + + + + + + +
26 14:59:32 FG-1-107 4 P31CPD fgonzal - + + - - + +
26 14:55:13 FG-1-107 3 PROTON_SPIN fgonzal + + + + + + +
25 14:52:19 FG-1-104 2 P31CPD fgonzal - + + - - + +
25 14:48:08 FG-1-104 1 PROTON_SPIN fgonzal + + + + + + +
23 14:40:28 JR-1-152 TBAH2PO4 2 P31CPD jrana - + + - - + + 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 14:36:00 JR-1-152 TBAH2PO4 1 PROTON_SPIN jrana + + + + + + +
22 14:10:31 CL-45 1 PROTON_SPIN clakin + + + + + + +
21 14:00:57 JR-1-152 pH 12.75 2 P31CPD jrana - + + - - + + 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
21 13:56:17 JR-1-152 pH 12.75 1 PROTON_SPIN jrana + + + + + + +
20 13:40:47 JR-1-52 pH 12 2 P31CPD jrana - + + - - + + 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
20 13:35:09 JR-1-52 pH 12 1 PROTON_SPIN jrana + + + + + + +
18 13:22:51 JR-1-152 PH 10.5 2 P31CPD jrana - + + - - + + 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 13:17:55 JR-1-152 PH 10.5 1 PROTON_SPIN jrana + + + + + + +
17 13:16:09 JG-01-158-crude 2 PROTON_SPIN jgipper - + + - - + + pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-158-crude/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-158-crude/2/pdata/1/peaks!
17 13:11:14 JG-01-158-crude 1 P31CPD jgipper + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed
16 13:07:58 JG-01-157-crude 2 P31CPD jgipper - + + - - + +
16 13:04:48 JG-01-157-crude 1 PROTON_SPIN jgipper + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-157-crude/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-157-crude/1/pdata/1/peaks!
14 12:57:00 JR-1-152 pH 10 2 P31CPD jrana - + + - - + + 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
14 12:52:34 JR-1-152 pH 10 1 PROTON_SPIN jrana + + + + + + +
11 12:40:37 JR-1-152 pH 9.6 2 P31CPD jrana - + + - - + + 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
11 12:35:59 JR-1-152 pH 9.6 1 PROTON_SPIN jrana + + + + + + +
10 12:33:35 FG-1-108 2 P31CPD fgonzal - + + - - + +
10 12:29:28 FG-1-108 1 PROTON_SPIN fgonzal + + + + + + +
9 12:26:10 FG-1-107 2 P31CPD fgonzal - + + - - + +
9 12:21:50 FG-1-107 1 PROTON_SPIN fgonzal + + + + + + +
8 12:15:25 KG_Blank_HBPin 2 B11ZG kgour - + + - - + + pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/kgour/nmr/KG_Blank_HBPin/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/kgour/nmr/KG_Blank_HBPin/2/pdata/1/peaks!
8 12:11:29 KG_Blank_HBPin 1 PROTON_SPIN kgour + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/kgour/nmr/KG_Blank_HBPin/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/kgour/nmr/KG_Blank_HBPin/1/pdata/1/peaks!
7 12:02:45 JR-1-152 pH 9.25 2 P31CPD jrana - + + - - + + 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
7 11:56:46 JR-1-152 pH 9.25 1 PROTON_SPIN jrana + + + + + + +
6 11:50:15 KG_01_70_Heat_1hr 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_Heat_1hr/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_Heat_1hr/2/pdata/1/peaks!
6 11:45:05 KG_01_70_Heat_1hr 1 PROTON_SPIN kgour + + + + + + +
4 11:42:33 FG-1-106 4 P31CPD fgonzal - + + - - + +
4 11:36:33 FG-1-106 3 PROTON_SPIN fgonzal + + + + + + +
5 11:28:05 JR-1-152 pH 8.92 2 P31CPD jrana - + + - - + + 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
5 11:22:44 JR-1-152 pH 8.92 1 PROTON_SPIN jrana + + + + x + + topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
3 11:20:16 FG-1-105 4 P31CPD fgonzal - + + - - + +
3 11:15:54 FG-1-105 3 PROTON_SPIN fgonzal + + + + + + +
2 11:13:09 FG-1-103 6 P31CPD fgonzal - + + - - + +
2 11:08:16 FG-1-103 5 PROTON_SPIN fgonzal + + + + + + +
29 10:59:07 JR-1-152 M inorg p 2 P31CPD jrana - + + - - + + 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 10:54:19 JR-1-152 M inorg p 1 PROTON_SPIN jrana + + + + + + +
28 10:32:08 SLM-02-86P 6 AANOESY smali - + + - - + +
28 10:07:30 SLM-02-86P 5 C13CPD_SIENA smali - + + - - + +
28 10:01:56 SLM-02-86P 4 PROTON_SPIN smali + + + + + + +
24 09:39:50 SLM-02-83 4 AANOESY smali - + + - - + +
24 09:34:11 SLM-02-83 1 PROTON_SPIN smali + + + + + + +
23 09:27:02 KG_01_70_T17hr 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_T17hr/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_T17hr/2/pdata/1/peaks!
23 09:23:06 KG_01_70_T17hr 1 PROTON_SPIN kgour + + + + + + +
21 21:58:39 berberine_250909 5 AAHMBC ligandpharma - + + - - + + ~14.66mg berberine 500 uL DMSO was not fully soluble
21 21:38:43 berberine_250909 4 AAHSQC ligandpharma - + + - - + + ~14.66mg berberine 500 uL DMSO was not fully soluble
21 21:29:54 berberine_250909 3 AACOSY ligandpharma - + + - - + + ~14.66mg berberine 500 uL DMSO was not fully soluble
21 21:06:05 berberine_250909 2 C13CPD_SIENA ligandpharma - + + - - + + ~14.66mg berberine 500 uL DMSO was not fully soluble
21 21:00:19 berberine_250909 1 PROTON_SPIN ligandpharma + + + + + + + ~14.66mg berberine 500 uL DMSO was not fully soluble
20 19:05:55 SC-LSM-PR-N14-TS 2 C13CPD_SIENA schoud - + + - - + +
20 19:00:00 SC-LSM-PR-N14-TS 1 PROTON_SPIN schoud + + + + + + +
46 17:51:05 KG_01_70_T1hr50min 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_T1hr50min/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_T1hr50min/2/pdata/1/peaks!
46 17:47:18 KG_01_70_T1hr50min 1 PROTON_SPIN kgour + + + + + + +
43 17:07:58 JG-01-159-5pm-09-09-2025 2 P31CPD jgipper - + + - - + +
43 17:04:56 JG-01-159-5pm-09-09-2025 1 PROTON_SPIN jgipper + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-159-5pm-09-09-2025/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-159-5pm-09-09-2025/1/pdata/1/peaks!
42 16:58:44 KG_01_70_T1hr 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_T1hr/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_T1hr/2/pdata/1/peaks!
42 16:54:46 KG_01_70_T1hr 1 PROTON_SPIN kgour + + + + + + +
56 16:12:30 Berberine_20mg_Cap-Gly_250909 1 PROTON_SPIN ligandpharma + + + + + + + Cap/Gly 1:40 20mg berberine DMSO in 3mm tube inserted inside 5mm NMR tube for external reference User=Sarah
39 16:02:31 FG-1-106 2 P31CPD fgonzal - + + - - + +
39 15:58:07 FG-1-106 1 PROTON_SPIN fgonzal + + + + + + +
37 15:54:47 FG-1-105 2 P31CPD fgonzal - + + - - + +
37 15:49:37 FG-1-105 1 PROTON_SPIN fgonzal + + + + + + +
36 15:43:59 KG_01_70_T0 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70_T0/2/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 /opt/topspin/data/kgour/nmr/KG_01_70_T0/2/pdata/1/peaks!
36 15:39:38 KG_01_70_T0 1 PROTON_SPIN kgour + + + + + + +
34 15:33:08 HADFO_250909 1 PROTON_SPIN lforrest + + + + + + + HA-DFO 28Aug2025 batch
52 14:34:33 KG_01_70 2 B11ZG kgour - + + - - + + 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 /opt/topspin/data/kgour/nmr/KG_01_70/2/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 /opt/topspin/data/kgour/nmr/KG_01_70/2/pdata/1/peaks!
52 14:30:23 KG_01_70 1 PROTON_SPIN kgour + + + + + + +
50 13:50:15 FG-1-103 4 P31CPD fgonzal - + + - - + +
50 13:46:05 FG-1-103 3 PROTON_SPIN fgonzal + + + + + + +
49 13:44:35 FG-1-102-Ether 2 PROTON_SPIN fgonzal - + + - - + +
49 13:39:42 FG-1-102-Ether 1 P31CPD fgonzal + + + + + + + pp: Cannot find any peak for scaling in /opt/topspin/data/fgonzal/nmr/FG-1-102-Ether/1/pdata/1/peaks!, pp: Cannot find any peak for scaling in /opt/topspin/data/fgonzal/nmr/FG-1-102-Ether/1/pdata/1/peaks!
48 13:37:23 FG-1-102-Pentane 2 P31CPD fgonzal - + + - - + + pp: Cannot find any peak for scaling in /opt/topspin/data/fgonzal/nmr/FG-1-102-Pentane/2/pdata/1/peaks!, pp: Cannot find any peak for scaling in /opt/topspin/data/fgonzal/nmr/FG-1-102-Pentane/2/pdata/1/peaks!
48 13:32:45 FG-1-102-Pentane 1 PROTON_SPIN fgonzal + + + + + + +
47 13:31:18 FG-1-101-Ether 2 PROTON_SPIN fgonzal - + + - - + +
47 13:26:31 FG-1-101-Ether 1 P31CPD fgonzal + + + + + + +
46 13:24:03 FG-1-101-Pentane 2 P31CPD fgonzal - + + - - + +
46 13:20:07 FG-1-101-Pentane 1 PROTON_SPIN fgonzal + + + + + + +
45 13:18:39 FG-1-089-Ether 2 PROTON_SPIN fgonzal - + + - - + +
45 13:13:50 FG-1-089-Ether 1 P31CPD fgonzal + + + + + + +
44 13:11:18 FG-1-089-Pentane 2 P31CPD fgonzal - + + - - + +
44 13:06:54 FG-1-089-Pentane 1 PROTON_SPIN fgonzal + + + + + + +
43 13:02:08 JG-01-152-crude-out-of-box-1pm-09-09-2025 2 P31CPD jgipper - + + - - + +
43 12:59:15 JG-01-152-crude-out-of-box-1pm-09-09-2025 1 PROTON_SPIN jgipper + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-152-crude-out-of-box-1pm-09-09-2025/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-152-crude-out-of-box-1pm-09-09-2025/1/pdata/1/peaks!
42 12:25:50 AM-1-281 5 AAHMBC amars - + + - - + +
42 12:05:54 AM-1-281 4 AAHSQC amars - + + - - + +
42 11:57:33 AM-1-281 3 AACOSY amars - + + - - + +
42 11:31:15 AM-1-281 2 C13CPD_SIENA amars - + + - - + +
42 11:26:16 AM-1-281 1 PROTON_SPIN amars + + + + + + +
41 11:05:48 FC-16 2 F19CPD fcooper - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
41 11:00:49 FC-16 1 PROTON_SPIN fcooper + + + + + + +
40 10:56:22 TO-16 2 F19CPD fcooper - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
40 10:51:04 TO-16 1 PROTON_SPIN fcooper + + + + + + +
38 10:14:28 JFC-2-156 1 C13CPD_SIENA jcudjoe + + + + + + +
12 16:59:53 JG-01-152-crude-455pm 2 PROTON_SPIN jgipper - + + - - + + pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-152-crude-455pm/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/jgipper/nmr/JG-01-152-crude-455pm/2/pdata/1/peaks!
12 16:55:39 JG-01-152-crude-455pm 1 P31CPD jgipper + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed
10 16:47:26 IS_01_42_2Weeks 2 P31CPD kgour - + + - - + +
10 16:44:14 IS_01_42_2Weeks 1 PROTON_SPIN kgour + + + + x + + topshim: TopshimCheckLockAndSample - lock is off: please lock in prior to shimming, Shim failed, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/kgour/nmr/IS_01_42_2Weeks/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/kgour/nmr/IS_01_42_2Weeks/1/pdata/1/peaks!
8 12:17:58 CL-42 hr 48 1 PROTON_SPIN clakin + + + + + + +
7 12:12:56 CL-40 control final 1 PROTON_SPIN clakin + + + + + + +