Icon NMR logo

IconNMR Automation Run Status:
Day Experiments: 01:29
Busy Until: Fri 20:31
Night Experiments: 00:00

Setup List
Holder Status Name ExpNo Experiment User Time Title
24 Completed HT16_260417 5 WATER msadat 00:01:04 1D 1H water suppression +5uL TMSP 1mM date=4/17/2026
25 Completed HT17_260417 5 WATER msadat 00:01:04 1D 1H water suppression +5uL TMSP 1mM date=4/17/2026
32 Completed RS-1-059_crude_04172026 1 N PROTON_SPIN_NoD_shim rshippy 00:00:38
32 Completed RS-1-059_crude_04172026 2 N P31CPD 31P exp. comp. pulse decoupling rshippy 00:00:49
33 Completed DG-611 57 N PROTON_SPIN 1H experiment spin on dgorve 00:01:17 1D 1H temp=57
33 Completed DG-611 58 N C13CPD_SIENA 1D 13C w/1H decoupling dgorve 00:22:30 1D 13C temp=57
34 Completed RS-7-242 1 N PROTON_SPIN 1H experiment spin on rsilver 00:01:17
34 Completed RS-7-242 2 N C13CPD_SIENA 1D 13C w/1H decoupling rsilver 00:31:19
38 Completed AS-02-141 1 N PROTON_SPIN 1H experiment spin on asingh 00:01:17
38 Completed AS-02-141 2 N C13CPD_SIENA 1D 13C w/1H decoupling asingh 00:22:30
40 Completed RS-1-060_Al2H2bisphos+NiCl2DME_crude_04172026 1 N PROTON_SPIN_NoD_shim rshippy 00:00:38
40 Completed RS-1-060_Al2H2bisphos+NiCl2DME_crude_04172026 2 N P31CPD 31P exp. comp. pulse decoupling rshippy 00:00:49
41 Completed AS-02-206 1 N PROTON_SPIN 1H experiment spin on asingh 00:01:17
41 Completed AS-02-206 2 N C13CPD_SIENA 1D 13C w/1H decoupling asingh 00:22:30
46 Completed KVD-2026-8-protected 1 N PROTON_SPIN 1H experiment spin on dvidana 00:04:44
46 Completed KVD-2026-8-protected 2 N C13CPD_POLYMER 1D 13C{1H} with spin echo for polymers dvidana 00:37:09
47 Completed HT16_260417 1 WATER msadat 00:01:04
47 Completed HT16_260417 2 P31 msadat 00:07:16 ns=64
47 Completed HT16_260417 3 P31 msadat 00:01:27
47 Completed HT16_260417 4 P31 msadat 00:13:44 ns-128
48 Completed HT17_260417 1 WATER msadat 00:01:04
48 Completed HT17_260417 2 P31 msadat 00:07:16 ns=64
48 Completed HT17_260417 3 P31 msadat 00:01:27
48 Completed HT17_260417 4 P31 msadat 00:13:44 ns-128
49 Available HT17_260417 6 WATER msadat 00:01:04
49 Available HT17_260417 7 P31 msadat 00:07:16 ns=64
49 Available HT17_260417 8 P31 msadat 00:01:27
49 Available HT17_260417 9 P31 msadat 00:13:44 ns-128
50 Completed KVD-2026-9-click 1 N PROTON_SPIN 1H experiment spin on dvidana 00:04:44
50 Completed KVD-2026-9-click 2 N C13CPD_POLYMER 1D 13C{1H} with spin echo for polymers dvidana 00:37:09
52 Completed NL-UO2Me3-Propanol-20260417 1 N PROTON_SPIN 1H experiment spin on nlind 00:01:17
54 Submitted phc_5_f_hplc3 2 N C13CPD_SIENA 1D 13C w/1H decoupling peichen 01:29:47
55 Completed SD-01-049-PENTANE 1 N PROTON_SPIN 1H experiment spin on sdutta 00:00:44
55 Completed SD-01-049-PENTANE 2 N P31CPD 31P exp. comp. pulse decoupling sdutta 00:00:46
56 Completed SD-01-049-ETHER 1 N PROTON_SPIN 1H experiment spin on sdutta 00:00:44
56 Completed SD-01-049-ETHER 2 N P31CPD 31P exp. comp. pulse decoupling sdutta 00:00:46
57 Completed SD-01-049-BENZENE 1 N PROTON_SPIN 1H experiment spin on sdutta 00:00:44
57 Completed SD-01-049-BENZENE 2 N P31CPD 31P exp. comp. pulse decoupling sdutta 00:00:46
History List
Holder Time Name ExpNo Experiment User Load Atma Spin Lock Shim Acq Proc Title Remarks
57 18:58:52 SD-01-049-BENZENE 2 P31CPD sdutta - + + - - + -
57 18:54:27 SD-01-049-BENZENE 1 PROTON_SPIN sdutta + + + + + + +
56 18:52:17 SD-01-049-ETHER 2 P31CPD sdutta - + + - - + +
56 18:47:52 SD-01-049-ETHER 1 PROTON_SPIN sdutta + + + + + + +
55 18:42:35 SD-01-049-PENTANE 2 P31CPD sdutta - + + - - + +
55 18:38:05 SD-01-049-PENTANE 1 PROTON_SPIN sdutta + + + + + + +
52 18:18:48 NL-UO2Me3-Propanol-20260417 1 PROTON_SPIN nlind + + + + + + +
50 17:39:12 KVD-2026-9-click 2 C13CPD_POLYMER dvidana - + + - - + +
50 17:30:43 KVD-2026-9-click 1 PROTON_SPIN dvidana + + + + + + +
25 17:25:20 HT17_260417 5 WATER msadat + + + + + + + 1D 1H water suppression +5uL TMSP 1mM date=4/17/2026
24 17:20:21 HT16_260417 5 WATER msadat + + + + + + + 1D 1H water suppression +5uL TMSP 1mM date=4/17/2026
48 17:05:27 HT17_260417 4 P31 msadat - + + - - + + ns-128 sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0
48 17:03:05 HT17_260417 3 P31 msadat - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0
48 16:54:12 HT17_260417 2 P31 msadat - + + - - + + ns=64 sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0
48 16:48:57 HT17_260417 1 WATER msadat + + + + + + +
47 16:34:03 HT16_260417 4 P31 msadat - + + - - + + ns-128 sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0
47 16:31:39 HT16_260417 3 P31 msadat - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0
47 16:21:17 HT16_260417 2 P31 msadat - + + - - + + ns=64 sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0
47 16:16:07 HT16_260417 1 WATER msadat + + + + + + +
46 15:37:42 KVD-2026-8-protected 2 C13CPD_POLYMER dvidana - + + - - + +
46 15:29:14 KVD-2026-8-protected 1 PROTON_SPIN dvidana + + + + + + +
41 15:04:06 AS-02-206 2 C13CPD_SIENA asingh - + + - - + +
41 14:58:52 AS-02-206 1 PROTON_SPIN asingh + + + + + + +
40 14:54:40 RS-1-060_Al2H2bisphos+NiCl2DME_crude_04172026 2 P31CPD rshippy - + + - - + +
40 14:49:54 RS-1-060_Al2H2bisphos+NiCl2DME_crude_04172026 1 PROTON_SPIN_NoD_shim rshippy + + + + - + + hwcal: Width at half height : 116.58 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-060_Al2H2bisphos+NiCl2DME_crude_04172026/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-060_Al2H2bisphos+NiCl2DME_crude_04172026/1/pdata/1/peaks!
38 14:26:02 AS-02-141 2 C13CPD_SIENA asingh - + + - - + +
38 14:20:08 AS-02-141 1 PROTON_SPIN asingh + + + + + + +
34 13:47:31 RS-7-242 2 C13CPD_SIENA rsilver - + + - - + +
34 13:41:47 RS-7-242 1 PROTON_SPIN rsilver + + + + + + +
33 13:09:18 DG-611 58 C13CPD_SIENA dgorve - + + - - + + 1D 13C temp=57
33 13:07:28 DG-611 57 PROTON_SPIN dgorve - - + - - + + 1D 1H temp=57
32 12:46:10 RS-1-059_crude_04172026 2 P31CPD rshippy - + + - - + + Automation was stopped by user
32 12:42:30 RS-1-059_crude_04172026 1 PROTON_SPIN_NoD_shim rshippy + + + + - + + hwcal: Width at half height : 28.12 Hz; topshim: TopshimFieldMap - not enough valid points in centre: the gradient does not work, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-059_crude_04172026/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-059_crude_04172026/1/pdata/1/peaks!
31 12:02:52 FG-1-201 10 P31CPD fgonzal - + + - - + +
31 11:58:54 FG-1-201 9 PROTON_SPIN fgonzal + + + + + + +
51 11:32:20 RS-1-058_crude_04172026 2 P31CPD rshippy - + + - - + +
51 11:28:56 RS-1-058_crude_04172026 1 PROTON_SPIN_NoD_shim rshippy + + + + - + + hwcal: Width at half height : 28.95 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-058_crude_04172026/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-058_crude_04172026/1/pdata/1/peaks!
50 11:20:30 JFC-2-271 2 PROTON_SPIN jcudjoe + + + + + + +
49 11:15:19 JFC-2-269 2 PROTON_SPIN jcudjoe + + + + + + +
46 10:44:52 SD-01-049-CRUDE 2 P31CPD sdutta - + + - - + +
46 10:39:55 SD-01-049-CRUDE 1 PROTON_SPIN sdutta + + + + + + +
45 10:37:45 SD-01-048-BENZENE 2 P31CPD sdutta - + + - - + +
45 10:32:43 SD-01-048-BENZENE 1 PROTON_SPIN sdutta + + + + + + +
44 10:30:32 SD-01-048-ETHER 2 P31CPD sdutta - + + - - + +
44 10:25:29 SD-01-048-ETHER 1 PROTON_SPIN sdutta + + + + + + +
43 10:22:17 SD-01-048-PENTANE 2 P31CPD sdutta - + + - - + +
43 10:18:10 SD-01-048-PENTANE 1 PROTON_SPIN sdutta + + + + + + +
40 08:32:10 ZA_E6_NSF 2 C13CPD_SIENA zaghaei + + + + + + +
39 08:27:16 DZ-0074-11re 1 PROTON_SPIN tzehnder + + + + + + +
38 08:22:09 DZ-0074-023B 1 PROTON_SPIN tzehnder + + + + + + +
37 08:16:38 DZ-0074-023A 1 PROTON_SPIN tzehnder + + + + + + +
54 02:47:30 JFC-2-271 1 C13CPD_SIENA jcudjoe + + + + + + +
53 02:20:01 JFC-2-269 1 C13CPD_SIENA jcudjoe + + + + + + +
52 20:35:12 II-4-11 2 C13CPD_SIENA iiyamu - + + - - + +
52 20:29:59 II-4-11 1 PROTON_SPIN iiyamu + + + + + + +
30 19:40:54 phc_5_f_hplc3 1 C13CPD_SIENA peichen + + + + + + +
27 19:07:28 mbg_6_52 6 AAHMBC mgarcia - + + - - + +
27 18:47:17 mbg_6_52 5 AAHSQC mgarcia - + + - - + 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
27 18:22:37 mbg_6_52 4 C13CPD_SIENA mgarcia - + + - - + +
27 18:07:35 mbg_6_52 3 C13DEPT135_SIENA mgarcia - + + - - + +
27 17:50:06 mbg_6_52 2 C13DEPT135_SIENA mgarcia - + + - - + +
27 17:44:47 mbg_6_52 1 PROTON_SPIN mgarcia + + + + + + +
24 16:18:02 SD-01-049-T1HR 4 P31CPD sdutta - + + - - + +
24 16:15:01 SD-01-049-T1HR 3 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 26.03 Hz, Width at half height : 19.56 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-049-T1HR/3/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-049-T1HR/3/pdata/1/peaks!
24 15:36:01 SD-01-049-T15MINS 2 P31CPD sdutta + + + + - + +
24 15:31:14 SD-01-049-T15MINS 1 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 26.73 Hz, Width at half height : 21.12 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-049-T15MINS/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-049-T15MINS/1/pdata/1/peaks!
21 14:10:42 JR-1-168 a2 1 PROTON_SPIN jrana + + + + + + +
20 13:32:00 GA-291 3 F19CPD garehar - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
20 13:27:18 GA-291 2 PROTON_SPIN garehar - + + - - + +
20 13:22:21 GA-291 1 PROTON_SPIN garehar + + + + + + +
17 13:11:12 SD-01-048-CRUDE C6D6 2 P31CPD sdutta - + + - - + +
17 13:07:05 SD-01-048-CRUDE C6D6 1 PROTON_SPIN sdutta + + + + + + +
16 13:02:09 JR-1-168 a1 1 PROTON_SPIN jrana + + + + + + +
15 12:37:10 II-4-10 2 C13CPD_SIENA iiyamu - + + - - + +
15 12:31:56 II-4-10 1 PROTON_SPIN iiyamu + + + + + + +
11 12:30:21 RS-1-039_solid_C6D6_04162026 2 PROTON_SPIN rshippy - + + - - + +
11 12:25:43 RS-1-039_solid_C6D6_04162026 1 P31CPD rshippy + + + + + + +
10 12:21:54 RS-1-053_C6D6_04162026 2 P31CPD rshippy - + + - - + +
10 12:17:03 RS-1-053_C6D6_04162026 1 PROTON_SPIN rshippy + + + + + + +
9 11:53:10 II-4-09 2 C13CPD_SIENA iiyamu - + + - - + +
9 11:47:52 II-4-09 1 PROTON_SPIN iiyamu + + + + + + +
8 11:23:52 AS-02-141-P 2 C13CPD_SIENA asingh - + + - - + +
8 11:18:49 AS-02-141-P 1 PROTON_SPIN asingh + + + + + + +
7 10:10:24 NH2-PEG23-FITC 2 C13CPD_SIENA wnira - + + - - + +
7 10:05:54 NH2-PEG23-FITC 1 PROTON_SPIN wnira + + + + + + +
6 09:16:58 NH2-PEG7-FITC 2 C13CPD_SIENA wariya - + + - - + +
6 09:10:53 NH2-PEG7-FITC 1 PROTON_SPIN wariya + + + + + + +
5 20:05:59 FG-1-211 6 P31CPD fgonzal - + + - - + +
5 20:03:03 FG-1-211 5 PROTON_SPIN fgonzal + + + + - + + pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-211/5/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-211/5/pdata/1/peaks!
3 18:00:56 II-4-7 redryd 2 C13CPD_SIENA iiyamu - + + - - + +
3 17:54:09 II-4-7 redryd 1 PROTON_SPIN iiyamu + + + + + + +
2 17:49:45 FG-1-210 16 P31CPD fgonzal - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0
2 17:45:20 FG-1-210 15 PROTON_SPIN fgonzal + + + + + + +
1 17:20:13 ZA_AMIDENSF 2 C13CPD_SIENA zaghaei - + + - - + +
1 17:14:21 ZA_AMIDENSF 1 PROTON_SPIN zaghaei + + + + + + +
23 16:33:24 RS-1-055_3eq_3hexyne_04152026 2 PROTON_SPIN_NoD_shim rshippy - + + - - + + hwcal: Width at half height : 36.06 Hz; topshim: TopshimFieldMap - not enough valid points in centre: the gradient does not work, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-055_3eq_3hexyne_04152026/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-055_3eq_3hexyne_04152026/2/pdata/1/peaks!
23 16:29:00 RS-1-055_3eq_3hexyne_04152026 1 P31CPD rshippy + + + + - + +
22 15:31:03 FG-1-211 4 P31CPD fgonzal - + + - - + +
22 15:27:30 FG-1-211 3 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 36.33 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-211/3/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-211/3/pdata/1/peaks!
19 15:13:33 RS-1-057_2eqCO2_2hr_04152026 5 P31CPD rshippy - + + - - + +
19 15:09:38 RS-1-057_2eqCO2_2hr_04152026 4 PROTON_SPIN rshippy + + + + + + +
19 13:30:04 RS-1-057_2eqCO2_initial_04152026 2 P31CPD rshippy - + + - - + +
19 13:25:31 RS-1-057_2eqCO2_initial_04152026 1 PROTON_SPIN rshippy + + + + + + +
18 13:22:54 FG-1-211 2 PROTON_SPIN_NoD_shim fgonzal - + + - - + + hwcal: Width at half height : 40.20 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-211/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-211/2/pdata/1/peaks!
18 13:19:13 FG-1-211 1 P31CPD fgonzal + + + + - + +
17 13:15:47 SD-01-048-T24HRS 2 P31CPD sdutta - + + - - + +
17 13:11:05 SD-01-048-T24HRS 1 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 49.17 Hz; topshim: TopshimFieldMap - not enough valid points in centre: the gradient does not work
15 12:37:40 mbg_6_50 5 AAHMBC mgarcia - + + - - + +
15 12:14:44 mbg_6_50 4 AAHSQC mgarcia + + + + + + +
14 11:55:25 to-2 1 PROTON_SPIN tojanov + + + + + + +
13 11:50:14 to-1 1 PROTON_SPIN tojanov + + + + + + +
12 11:45:57 NT-44-DRY 3 F19CPD garehar - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
12 11:42:02 NT-44-DRY 2 PROTON_SPIN garehar - + + - - + +
12 11:36:01 NT-44-DRY 1 PROTON_SPIN garehar + + + + + + +
10 11:20:57 mbg_6_50 3 C13DEPT135_SIENA mgarcia - + + - - + +
10 10:54:56 mbg_6_50 2 C13CPD_SIENA mgarcia - + + - - + +
10 10:50:08 mbg_6_50 1 PROTON_SPIN mgarcia + + + + + + +
8 10:11:33 FG-1-210 14 P31CPD fgonzal - + + - - + +
8 10:08:34 FG-1-210 13 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 98.60 Hz; topshim: TopshimRawCheck - the signal-to-noise is too low, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-210/13/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-210/13/pdata/1/peaks!
6 10:03:56 DZ-0074-08re 1 PROTON_SPIN tzehnder + + + + + + +
5 09:59:04 DZ-0074-21B 1 PROTON_SPIN tzehnder + + + + + + +
4 09:54:13 DZ-0074-21A 1 PROTON_SPIN tzehnder + + + + + + +
3 09:48:49 DZ0069089B 1 PROTON_SPIN jgalvez + + + + + + +
2 09:23:34 DZ0069089A 2 C13CPD_SIENA jgalvez - + + - - + +
2 09:17:41 DZ0069089A 1 PROTON_SPIN jgalvez + + + + + + +
48 09:14:20 FG-1-209 14 P31CPD fgonzal - + + - - + +
48 09:10:28 FG-1-209 13 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 45.45 Hz; topshim: TopshimFieldMap - not enough valid points in centre: the gradient does not work, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/13/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/13/pdata/1/peaks!
47 09:07:03 FG-1-210 13 P31CPD fgonzal + + + x - - - Lock failed after multiple attempts, lock: Command 'lock Pyr' failed. Lock is OFF, Command 'lock Pyr' failed. Lock is OFF
46 09:03:22 FG-1-208 12 P31CPD fgonzal - + + - - + +
46 08:58:50 FG-1-208 11 PROTON_SPIN fgonzal + + + + + + +
56 23:00:13 ii-4-8 2 C13CPD_SIENA iiyamu - + + - - + +
56 22:54:49 ii-4-8 1 PROTON_SPIN iiyamu + + + + + + +
55 21:44:56 ii-4-16 2 C13CPD_SIENA iiyamu - + + - - + +
55 21:37:36 ii-4-16 1 PROTON_SPIN iiyamu + + + + + + +
48 21:35:10 FG-1-209 12 P31CPD fgonzal - + + - - + +
48 21:30:31 FG-1-209 11 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 47.45 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/11/pdata/1/peaks!
47 21:28:55 FG-1-210 12 PROTON_SPIN fgonzal - + + - - + +
47 21:22:48 FG-1-210 11 P31CPD fgonzal + + + + x + + topshim: TopshimSetShims - BSMS limits exceeded, Shim failed, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0
53 21:02:53 VF_7_83_F7_9 5 AAHSQC vfadare - + + - - + +
53 20:54:32 VF_7_83_F7_9 4 AACOSY vfadare - + + - - + +
53 20:39:32 VF_7_83_F7_9 3 C13DEPT135_SIENA vfadare - + + - - + +
53 20:15:44 VF_7_83_F7_9 2 C13CPD_SIENA vfadare - + + - - + +
53 20:10:22 VF_7_83_F7_9 1 PROTON_SPIN vfadare + + + + + + +
50 19:12:48 JFC-2-270 2 PROTON_SPIN jcudjoe - + + - - + +
50 18:45:04 JFC-2-270-13C 3 C13CPD_SIENA jcudjoe + + + + + + +
48 18:42:49 FG-1-209 10 PROTON_SPIN_NoD_shim fgonzal - + + - - + + hwcal: Width at half height : 41.14 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/10/pdata/1/peaks!
48 18:39:25 FG-1-209 9 P31CPD fgonzal + + + + - + +
47 18:34:57 FG-1-210 10 P31CPD fgonzal - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0
47 18:30:01 FG-1-210 9 PROTON_SPIN fgonzal + + + + x + + topshim: TopshimSetShims - BSMS limits exceeded, Shim failed
52 17:16:12 GA-290-1 2 F19CPD garehar - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
52 17:09:14 GA-290-1 1 PROTON_SPIN garehar + + + + + + +
51 17:04:05 GA-277-2 1 PROTON_SPIN garehar + + + + + + +
50 16:57:58 GA-289-2 1 PROTON_SPIN garehar + + + + + + +
49 16:54:49 SD-01-048-T5HRS 2 P31CPD sdutta - + + - - + +
49 16:50:10 SD-01-048-T5HRS 1 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 49.99 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T5HRS/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T5HRS/1/pdata/1/peaks!
48 16:47:49 FG-1-209 8 P31CPD fgonzal - + + - - + +
48 16:43:46 FG-1-209 7 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 44.94 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/7/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/7/pdata/1/peaks!
47 16:42:09 FG-1-210 8 PROTON_SPIN fgonzal - + + - - + +
47 16:36:20 FG-1-210 7 P31CPD fgonzal + + + + x + + topshim: TopshimPerformShimming - too many points lost during fit, Shim failed, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0
46 16:33:15 FG-1-208 10 P31CPD fgonzal - + + - - + +
46 16:28:10 FG-1-208 9 PROTON_SPIN fgonzal + + + + + + +
45 16:25:14 CL-94 #9 3 PROTON_SPIN clakin - + + - - + +
45 16:20:04 CL-94 #9 2 F19 clakin + + + + + + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44 16:17:55 CL-94 #8 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44 16:11:53 CL-94 #8 1 PROTON_SPIN clakin + + + + + + +
43 16:09:10 CL-94 #7 3 PROTON_SPIN clakin - + + - - + +
43 16:04:37 CL-94 #7 2 F19 clakin + + + + + + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
42 16:03:04 CL-94 #6 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
42 15:57:19 CL-94 #6 1 PROTON_SPIN clakin + + + + + + +
41 15:54:21 CL-94 #5 1 PROTON_SPIN clakin - + + - - + +
41 15:49:19 CL-94 #5 2 F19 clakin + + + + + + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
38 15:47:17 CL-94 #4 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
38 15:41:43 CL-94 #4 1 PROTON_SPIN clakin + + + + + + +
37 15:37:57 CL-94 #3 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
37 15:32:41 CL-94 #3 1 PROTON_SPIN clakin + + + + + + +
36 15:30:44 CL-94 #2 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
36 15:25:41 CL-94 #2 1 PROTON_SPIN clakin + + + + + + +
35 15:23:55 CL-94 #1 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
35 15:19:00 CL-94 #1 1 PROTON_SPIN clakin + + + + + + +
34 15:16:10 CL-94 #0 2 F19 clakin - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
34 15:11:02 CL-94 #0 1 PROTON_SPIN clakin + + + + + + +
33 15:06:53 FG-1-208 8 P31CPD fgonzal - + + - - + +
33 15:02:03 FG-1-208 7 PROTON_SPIN fgonzal + + + + + + +
30 14:42:11 FG-1-209 6 PROTON_SPIN_NoD_shim fgonzal - + + - - + + hwcal: Width at half height : 36.38 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/6/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/6/pdata/1/peaks!
30 14:38:36 FG-1-209 5 P31CPD fgonzal + + + + - + +
29 14:36:03 FG-1-210 6 P31CPD fgonzal - + + - - + + sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0
29 14:31:17 FG-1-210 5 PROTON_SPIN fgonzal + + + + + + +
33 14:28:58 FG-1-208 6 P31CPD fgonzal - + + - - + +
33 14:24:56 FG-1-208 5 PROTON_SPIN fgonzal + + + + + + +
31 14:15:20 SD-01-048-T2HRS 6 P31CPD sdutta - + + - - + +
31 14:10:00 SD-01-048-T2HRS 5 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 70.46 Hz; topshim: TopshimFieldMap - not enough valid points in centre: the gradient does not work, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T2HRS/5/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T2HRS/5/pdata/1/peaks!
32 13:37:29 AS-02-217-P4 2 C13CPD_SIENA asingh - + + - - + +
32 13:31:14 AS-02-217-P4 1 PROTON_SPIN asingh + + + + + + +
35 13:28:52 FG-1-208 4 P31CPD fgonzal - + + - - + +
35 13:24:35 FG-1-208 3 PROTON_SPIN fgonzal + + + + + + +
31 13:20:02 SD-01-048-T1HR 4 P31CPD sdutta - + + - - + +
31 13:13:51 SD-01-048-T1HR 3 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 53.74 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T1HR/3/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T1HR/3/pdata/1/peaks!
33 12:48:56 AS-02-215 2 C13CPD_SIENA asingh - + + - - + +
33 12:42:50 AS-02-215 1 PROTON_SPIN asingh + + + + + + +
31 12:39:24 SD-01-048-T15MINS 2 P31CPD sdutta - + + - - + +
31 12:35:45 SD-01-048-T15MINS 1 PROTON_SPIN_NoD_shim sdutta + + + + - + + hwcal: Width at half height : 58.65 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T15MINS/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/sdutta/nmr/SD-01-048-T15MINS/1/pdata/1/peaks!
30 12:33:12 FG-1-209 4 P31CPD fgonzal - + + - - + +
30 12:28:20 FG-1-209 3 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 41.89 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/3/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/3/pdata/1/peaks!
29 12:25:59 FG-1-210 4 PROTON_SPIN_NoD_shim fgonzal - + + - - + + hwcal: Width at half height : 46.31 Hz; topshim: TopshimRawCheck - no signal at all, sref: lock nucleus off not specified in /opt/topspin3.6.2/exp/stan/nmr/lists/nuclei.all 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/fgonzal/nmr/FG-1-210/4/pdata/1/peaks!, sref: lock nucleus off not specified in /opt/topspin3.6.2/exp/stan/nmr/lists/nuclei.all 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/fgonzal/nmr/FG-1-210/4/pdata/1/peaks!
29 12:20:00 FG-1-210 3 P31CPD fgonzal + + + + + + + sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Pyr' SR is set to 0.0
32 12:16:16 Et3PO-C6D6-Reference 2 PROTON_SPIN fgonzal - + + - - + +
32 12:09:39 Et3PO-C6D6-Reference 1 P31CPD fgonzal + + + + + + +
35 12:06:30 RS-1-055_crude_tol_04142026 2 PROTON_SPIN_NoD_shim rshippy - + + - - + + hwcal: Width at half height : 28.85 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-055_crude_tol_04142026/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-055_crude_tol_04142026/2/pdata/1/peaks!
35 12:02:35 RS-1-055_crude_tol_04142026 1 P31CPD rshippy + + + + - + +
34 11:59:17 RS-1-053_crude_THF_04142026 2 P31CPD rshippy - + + - - + +
34 11:55:19 RS-1-053_crude_THF_04142026 1 PROTON_SPIN_NoD_shim rshippy + + + + - + + hwcal: Width at half height : 47.68 Hz; topshim: TopshimPerformShimming - too many points lost during fit, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-053_crude_THF_04142026/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/rshippy/nmr/RS-1-053_crude_THF_04142026/1/pdata/1/peaks!
31 11:52:29 FG-1-208 2 P31CPD fgonzal - + + - - + +
31 11:47:39 FG-1-208 1 PROTON_SPIN fgonzal + + + + + + +
30 11:44:43 FG-1-209 2 PROTON_SPIN_NoD_shim fgonzal - + + - - + + hwcal: Width at half height : 35.33 Hz; topshim: TopshimFieldMap - not enough valid points in centre: the gradient does not work, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/2/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-209/2/pdata/1/peaks!
30 11:41:33 FG-1-209 1 P31CPD fgonzal + + + + - + +
29 11:37:43 FG-1-210 2 P31CPD fgonzal - + + - - + +
29 11:33:22 FG-1-210 1 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 26.44 Hz, Problems with fitting the lower right side of the signal. Peak picking or phasing has not been done properly. xin = 1.000000 Correct this and repeat the calculation.; topshim: TopshimRawCheck - no signal at all, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-210/1/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-210/1/pdata/1/peaks!
21 20:26:31 II-4-15 2 C13CPD_SIENA iiyamu - + + - - + +
21 20:19:38 II-4-15 1 PROTON_SPIN iiyamu + + + + + + +
20 19:33:24 II-4-7 2 C13CPD_SIENA iiyamu - + + - - + +
20 19:27:28 II-4-7 1 PROTON_SPIN iiyamu + + + + + + +
15 17:26:47 mbg_2_135_TMPPDCl 3 C13DEPT135_SIENA mgarcia - + + - - + +
15 17:02:56 mbg_2_135_TMPPDCl 2 C13CPD_SIENA mgarcia - + + - - + +
15 16:57:32 mbg_2_135_TMPPDCl 1 PROTON_SPIN mgarcia + + + + + + +
14 16:32:27 DZ-0069-091-A 2 C13CPD_SIENA tzehnder - + + - - + +
14 16:26:51 DZ-0069-091-A 1 PROTON_SPIN tzehnder + + + + + + +
13 16:21:22 FG-1-201 8 P31CPD fgonzal - + + - - + +
13 16:17:02 FG-1-201 7 PROTON_SPIN fgonzal + + + + + + +
10 15:45:46 MM_276_AC13 1 C13CPD_SIENA mmckay + + + + + + +
9 15:40:57 DZ-0074-020B 1 PROTON_SPIN tzehnder + + + + + + +
8 15:35:25 DZ-0074-020A 1 PROTON_SPIN tzehnder + + + + + + +
7 15:11:32 DZ0069087A 2 C13CPD_SIENA jgalvez - + + - - + +
7 15:05:25 DZ0069087A 1 PROTON_SPIN jgalvez + + + + + + +
6 14:57:04 DZ0069090A 3 AACOSY jgalvez - + + - - + +
6 14:31:56 DZ0069090A 2 C13CPD_SIENA jgalvez - + + - - + +
6 14:26:03 DZ0069090A 1 PROTON_SPIN jgalvez + + + + + + +
5 14:22:53 NT-44 2 F19CPD garehar - + + - - + + sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
5 14:18:26 NT-44 1 PROTON_SPIN garehar + + + + + + +
2 14:12:58 NL-UO2Me3-MeOH-RXN-20260413 1 PROTON_SPIN nlind + + + + + + +
1 14:08:11 NL-UO2Me3-MeCN-RXN-20260413 1 PROTON_SPIN nlind + + + + + + +
22 13:35:02 mbg_6_47_2 2 AANOESY mgarcia - + + - - + +
22 13:29:50 mbg_6_47_2 1 PROTON_SPIN mgarcia + + + + + + +
21 13:24:54 LS_260413 1 PROHUMP sarah + + + + + + + sref: reference peak outside file limits default calibration done; proc_glp: Title file is empty : /opt/topspin/data/sarah/nmr/LS_260413/1/pdata/1/title It must have at least 3 lines., sref: reference peak outside file limits default calibration done; proc_glp: Title file is empty : /opt/topspin/data/sarah/nmr/LS_260413/1/pdata/1/title It must have at least 3 lines.
20 13:19:24 heptanone_260413 1 PROTON_SPIN sarah + + + + + + +
19 13:17:11 SD-01-046-T5DAYS 2 P31CPD sdutta - + + - - + +
19 13:12:08 SD-01-046-T5DAYS 1 PROTON_SPIN sdutta + + + + + + +
18 13:09:08 SDD-01-045-T5DAYS 2 P31CPD sdutta - + + - - + +
18 13:04:40 SDD-01-045-T5DAYS 1 PROTON_SPIN sdutta + + + + + + +
17 12:59:21 SD-01-040-T3DAYS AGAIN 1 PROTON_SPIN sdutta + + + + + + +
16 12:53:44 GA-289-1 1 PROTON_SPIN garehar + + + + + + +
15 12:47:47 GA-288-1 1 PROTON_SPIN garehar + + + + + + +
14 12:45:03 FG-1-207 6 P31CPD fgonzal - + + - - + +
14 12:41:24 FG-1-207 5 PROTON_SPIN_NoD_shim fgonzal + + + + - + + hwcal: Width at half height : 29.23 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-207/5/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin/data/fgonzal/nmr/FG-1-207/5/pdata/1/peaks!