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IconNMR Automation Run Status:
Day Experiments: 00:00
Busy Until: Mon 14:05
Night Experiments: 00:00

Setup List
Holder Status Name ExpNo Experiment User Time Title
12 Completed MM_276_C2 1 N PROTON 1H experiment mmckay 00:01:32
14 Completed AJ-10-H2BA-T2 1 N PROTON 1H experiment ajacobs 00:01:32
14 Completed AJ-10-H2BA-T2 2 N F19CPD 19F exp. comp. pulse decoupling ajacobs 00:00:35
15 Completed GZ02_vinylacetate_epoxide_-40 1 N PROTON 1H experiment gzhang 00:01:32
17 Completed RP-1-156-SM 1 N PROTON 1H experiment rpierce 00:01:32
History List
Holder Time Name ExpNo Experiment User Load Atma Spin Lock Shim Acq Proc Title Remarks
17 14:00:40 RP-1-156-SM 1 PROTON rpierce + + - + + + -
15 13:27:16 GZ02_vinylacetate_epoxide_-40 1 PROTON gzhang + + - + + + +
14 13:13:41 AJ-10-H2BA-T2 2 F19CPD ajacobs - + - - - + + sref: reference peak outside file limits default calibration done
14 13:09:08 AJ-10-H2BA-T2 1 PROTON ajacobs + + - + + + + sref: reference peak not found default calibration done
12 12:22:43 MM_276_C2 1 PROTON mmckay + + - + + + +
10 11:54:35 JWH-2026-4-Crude 1 PROTON jhorinek + + - + + + + sref: reference peak not found default calibration done
8 11:27:32 RT_NB1_Pg34(DMP1) 1 PROTON rtharp + + - + + + +
4 10:53:58 Apr20-2026-zaghaei-E6-N2 1 PROTON zaghaei + + - + + + + e6 made under n2 sref: reference peak not found default calibration done
2 10:39:28 VF_7_86_slt 1 PROTON vfadare + + - + + + + sref: reference peak not found default calibration done
1 10:35:22 VF_2_434G_4d 1 PROTON vfadare + + - + + + + sref: reference peak not found default calibration done
22 10:09:53 MM_276_C 1 PROTON mmckay + + - + + + +
20 09:56:28 CW-05-186 1 PROTON cwaller + + - + + + + sref: reference peak not found default calibration done
19 09:52:45 JG-nbuli-noli-syn 1 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 26.54 Hz, Width at half height : 23.19 Hz, Width at half height : 26.54 Hz, Width at half height : 26.54 Hz; shim1h_ku: No well-separated peak was found, so TopShim will just shim on the largest peak., pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-nbuli-noli-syn/1/pdata/1/peaks!
17 09:06:16 AS-02-219-P 1 PROTON asingh + + - + + + +
15 08:38:30 KVD-2026-11-PROTECTED 1 PROTON dvidana + + - + + + +
13 04:39:31 JFC-2-DAA 2 PROTON jcudjoe + + - + + + +
13 04:31:11 JFC-2-DAA 1 PROTON jcudjoe x - - - - - - Sample Changer: Error: SKIP_SAMPLE :: Error: No sample in position 13
13 01:59:53 JFC-2-280 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
13 22:59:36 JFC-2-BrOMe-2 1 PROTON jcudjoe + + - + + + +
12 22:54:47 JFC-2-2F-2 1 PROTON jcudjoe + + - + + + +
11 19:41:54 phc_2f_col2_1 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
9 18:33:37 phc_FmocD_peak1 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
8 18:29:39 phc_fmocD_peak2 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
7 18:25:49 phc_2f_col1_21 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
6 18:21:28 phc_2f_col2_10 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
4 14:55:22 AJ-009-TO 1 PROTON tojanov + + - + + + + sref: reference peak not found default calibration done
2 21:54:00 PHC_5_99_3_Permang 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
1 21:49:44 PHC_2F_INDO_ACID 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
23 09:09:15 JFC-2-221-DOWN 1 PROTON jcudjoe + + - + + + +
22 09:03:23 JFC-2-221-TOP 1 PROTON jcudjoe + + - + + + +
20 06:58:36 AS-02-218 2 PROTON asingh + + - + + + +
18 17:40:42 RS-2-21-CRRUDE 1 PROTON rsabala + + - + + + +
16 16:33:16 phc_Lpeak1 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
15 16:28:25 phc_L_peak2 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
14 16:23:58 phc_d_free_aa 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
12 15:30:31 dpaq_acf_1a 1 PROTON aputhiy + + - + + + +
10 14:59:21 dpaq_ac_3c 1 PROTON aputhiy + + - + + + +
9 14:54:10 dpaq_ac_2b 1 PROTON aputhiy + + - + + + +
7 14:36:10 AJ-10-2-H2Ba 1 PROTON ajacobs + + - + + + + sref: reference peak not found default calibration done
5 14:14:13 RP-1-155 1 PROTON rpierce + + - + + + + sref: reference peak not found default calibration done
3 13:35:12 SA-118-CD3CN 1 PROTON sarora + + - + + + + sref: reference peak not found default calibration done
1 13:30:09 ASL-2026-4-22-PD 1 PROTON alining + + - + + + + sref: reference peak not found default calibration done
23 12:21:25 JFC-2OMe-Br 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
22 12:06:38 CW-1-47-Pd+18hr 1 PROTON cweg + + - + + + +
21 12:02:07 CW-1-47-Fe 1 PROTON cweg + + - + + + +
20 11:57:55 JG-02-022-F 1 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 8.77 Hz, Width at half height : 17.88 Hz, Width at half height : 6.48 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-F/1/pdata/1/peaks!
19 11:54:25 JG-02-022-E 1 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 10.76 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-E/1/pdata/1/peaks!
18 11:49:34 AS-02-219-C 1 PROTON asingh + + - + + + +
17 11:44:28 AS-02-206-P 2 PROTON asingh + + - + + + +
16 11:40:01 NL-methyl-20260417 1 PROTON nlind + + - + + + + sref: reference peak not found default calibration done
15 11:33:13 JFC-2-281-DOWN 1 PROTON jcudjoe + + - + + + +
12 11:27:19 JFC-2-281-TOP 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
11 11:22:49 AS-02-218 1 PROTON asingh + + - + + + +
10 11:17:24 AS-02-141-p 1 PROTON asingh + + - + + + +
9 11:11:59 JG-1-61-2c-R5 1 PROTON jgreer + + - + + + +
7 11:06:27 JG-1-61-2c-R4 1 PROTON jgreer + + - + + + +
2 09:57:29 JG-02-022-D 1 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 9.57 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-D/1/pdata/1/peaks!
1 09:53:56 JG-02-022-C 1 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 9.54 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-C/1/pdata/1/peaks!
23 09:47:09 SA-110-filtrate-re 1 PROTON sarora + + - + + + + sref: reference peak not found default calibration done
22 09:24:56 JG-02-022-B 1 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 9.60 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-B/1/pdata/1/peaks!
21 09:21:21 JG-02-022-A 2 PROTON_NoD_shim jgipper + + - + - + + hwcal: Width at half height : 11.29 Hz, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-A/2/pdata/1/peaks!
21 09:18:00 JG-02-022-A 1 PROTON jgipper + + - + - + + pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /opt/topspin3.2/data/jgipper/nmr/JG-02-022-A/1/pdata/1/peaks!
18 08:45:41 JG-02-016 1 PROTON jgipper + + - + + + + sref: reference peak not found default calibration done
16 21:32:38 RS-2-20-CRUDE 1 PROTON rsabala + + - + + + +
14 20:29:02 GZ02_84_2 1 PROTON gzhang + + - + + + + sref: reference peak not found default calibration done
13 20:24:13 GZ02_84_1 1 PROTON gzhang + + - + + + +
12 18:54:35 II-4-11 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
11 18:50:24 II-4-10 redryd 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
9 18:00:50 phc_5_2findo_col11 1 PROTON peichen + + - + + + +
7 17:56:19 phc_5_2findo_col8 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
6 17:51:44 phc_5_2findo_col1 1 PROTON peichen + + - + + + +
5 17:50:13 phc_5_f_hplc3 2 F19 peichen - + - - - + +
5 17:45:26 phc_5_f_hplc3 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
3 17:35:23 CW-1-47-Pd 1 PROTON cweg + + - + + + +
1 17:28:55 RS-2-19-CRUDE 1 PROTON rsabala + + - + + + +
22 16:26:05 CW-05-184_Crude 1 PROTON cwaller + + - + + + + sref: reference peak not found default calibration done
20 15:21:10 20-16-04-zaghaei-hforc 1 PROTON zaghaei + + - + + + + check hnmr of cnmr solution sref: reference peak not found default calibration done
18 15:16:52 Fc-N-methy-methoxy-indole-Misc 1 PROTON fawa + + - + + + + sref: reference peak not found default calibration done
17 15:11:09 Fc-N-methyl-methoxy-indole-Last 1 PROTON fawa + + - + + + + sref: reference peak not found default calibration done
16 15:05:38 Fc-N-Methy-Methoxyindoile-F2nd 1 PROTON fawa + + - + + + + sref: reference peak not found default calibration done
15 15:00:30 SA-106-re 1 PROTON sarora + + - + + + + sref: reference peak not found default calibration done
14 14:56:04 AJ-10-H2Ba 1 PROTON ajacobs + + - + + + + sref: reference peak not found default calibration done
12 14:44:09 AS-02-215 2 PROTON asingh + + - + + + +
9 14:27:48 CW-05-182_R2 1 PROTON cwaller + + - + + + +
7 13:49:32 RT_RxnNb_Pg22 3 PROTON rtharp + + - + + + + sref: reference peak not found default calibration done
24 13:45:23 VF_8913 1 PROTON vfadare + + - + + + + sref: reference peak not found default calibration done
23 13:40:32 VF_2_434F_AD 1 PROTON vfadare + + - + + + +
21 13:36:03 CW-05-185 1 PROTON cwaller + + - + + + +
19 13:28:15 RT_RxnNB_Pg19 2 PROTON rtharp + + - + + + +
17 13:24:56 JS_204_D_EF 2 F19CPD jschaef - + - - - + + sref: reference peak outside file limits default calibration done
17 13:19:04 JS_204_D_EH 1 PROTON jschaef + + - + + + + sref: reference peak not found default calibration done
12 13:03:08 KTS-1-4 1 PROTON ktsmith + + - + + + + sref: reference peak not found default calibration done
10 12:47:25 RP-1-41-Again 1 PROTON rpierce + + - + + + + sref: reference peak not found default calibration done
7 12:32:50 PHC_5_F_HPLC 2 F19 peichen - + - - - + +
7 12:28:20 PHC_5_F_HPLC 1 PROTON peichen + + - + + + +
5 11:36:59 JFC-2-BFA-HA 1 PROTON jcudjoe + + - + + + +
3 11:33:12 JFC-2-271 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
2 11:29:21 JFC-2-269 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
24 11:20:15 sp-1-259 1 PROTON spham + + - + + + +
22 11:00:35 AS-02-218-C 1 PROTON asingh + + - + + + +
19 10:47:30 II-4-10 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
18 10:43:16 II-4-09 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
16 10:24:34 VF_2_434F_20h 1 PROTON vfadare + + - + + + + sref: reference peak not found default calibration done
15 10:19:24 PAT_2026_109_SIDE 1 PROTON padelow + + - + + + + sref: reference peak not found default calibration done
13 09:24:40 JS_204_H 1 PROTON jschaef + + - + + + + sref: reference peak not found default calibration done
11 09:15:06 JS_204_D_F 2 F19CPD jschaef - + - - - + + sref: reference peak outside file limits default calibration done
11 09:10:58 JS_204_D 1 PROTON jschaef + + - + + + + sref: reference peak not found default calibration done
9 08:56:28 JS_204_D 2 F19CPD jschaef + + - + + + + sref: reference peak outside file limits default calibration done
7 19:46:17 CW-1-47-Zn 1 PROTON cweg + + - + + + +
5 19:40:53 JFC-2F 1 PROTON jcudjoe + + - + + + +
4 18:41:41 phc_5_99_3_scale 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
2 18:29:06 GZ02_acryonitrile epoxide 1 PROTON gzhang + + - + + + +
1 18:19:15 CW-05-185_Crude 1 PROTON cwaller + + - + + + + sref: reference peak not found default calibration done
22 17:32:35 II-4-7 redried 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
20 15:48:00 RP-1-RecovNHCHO 1 PROTON rpierce + + - + + + +
18 14:46:19 KLS_I_oIodo_PIDA_crude 1 PROTON klsmith + + - + + + +
17 13:50:54 C16_192 1 PROTON jstyers + + - + + + + sref: reference peak not found default calibration done
16 13:46:05 MM_276_B2 1 PROTON mmckay + + - + + + +
13 13:40:53 JG-1-61-2c-R2 1 PROTON jgreer + + - + + + +
10 13:31:06 RP-1-DCE 1 PROTON rpierce + + - + + + + sref: reference peak not found default calibration done
8 11:32:46 RP-1-151 1 PROTON rpierce + + - + + + +
7 11:27:46 JG-1-61-2c-R1 1 PROTON jgreer + + - + + + +
3 11:11:30 BS-02-30-15%-109hrs 2 P31CPD hbont - + - - - + +
3 11:07:17 BS-02-30-15%-109hrs 1 PROTON hbont + + - + + + + topshim: failed to write message to logfile: 11:09:03.108 GetParameters - current data set: DATPATH = /opt/topspin3.2/data/hbont/nmr EXPNO = 1 NAME = BS-02-30-15%-109hrs PROCNO = 1 wrote 141 of 142 characters unknown error
23 10:42:36 MM_276_MeCN 1 PROTON mmckay + + - + + + + sref: reference peak not found default calibration done
22 10:38:49 MM_276_AD6 1 PROTON mmckay + + - + + + +
21 10:33:52 MM_277_B 1 PROTON mmckay + + - + + + + sref: reference peak not found default calibration done
19 10:28:44 CW-05-182_R1 1 PROTON cwaller + + - + + + + sref: reference peak not found default calibration done
17 09:45:16 mbg_6_50_aw 1 PROTON mgarcia + + - + + + +
15 09:38:02 RS-2-18-CRUDE 1 PROTON rsabala + + - + + + +
13 08:39:25 JFC-DMSO 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
11 08:34:13 AS-02-216 2 PROTON asingh + + - + + + +
8 20:41:11 ii-4-8-2 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
6 18:57:44 PHC_5_99_3_COLRE 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
4 18:39:16 JFC-2-282 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
2 18:31:21 phc_fmoc_solution 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
1 18:26:55 phc_fmoc_solid 1 PROTON peichen + + - + + + +
24 18:22:02 phc_5_99_3_col 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
22 18:00:05 Ian_enol 1 PROTON dcurry + + - + + + + zg: 'tr' not possible in 2D acquisition
20 17:40:22 dpaq_ac_hs_c 1 PROTON aputhiy + + - + + + +
19 17:34:59 dpaq_ac_hs_b 1 PROTON aputhiy + + - + + + +
18 17:30:08 dpaq_ac_hs_a 1 PROTON aputhiy + + - + + + +
16 16:40:31 AP_DPAQ_HS_AC_2 1 PROTON aputhiy + + - + + + +
14 16:36:03 JFC-2-270-2 1 PROTON jcudjoe + + - + + + +
13 16:28:38 KVD-2026-10click 1 PROTON dvidana + + - + + + + sref: reference peak not found default calibration done
12 16:24:09 KVD-2026-07 protected 1 PROTON dvidana + + - + + + + sref: reference peak not found default calibration done
10 16:04:51 JFC-CDCl3 1 PROTON jcudjoe + + - + + + + sref: reference peak not found default calibration done
6 16:00:03 PP-dpaqOMe-after-purification 2 PROTON ppatel + + - + + + +
3 15:47:23 GZ02_vinyl acetate epoxide 1 PROTON gzhang + + - + + + + sref: reference peak not found default calibration done
2 15:24:43 PP-dpaqOMe-after-purification 1 PROTON ppatel + + - + + + +
23 15:00:21 II-4-08 1 PROTON iiyamu + + - + + + + sref: reference peak not found default calibration done
22 14:56:15 VF_BzCl 1 PROTON vfadare + + - + + + + sref: reference peak not found default calibration done
21 14:51:50 VF_2_420O_AD 1 PROTON vfadare + + - + + + + sref: reference peak not found default calibration done
20 14:47:21 VF_7_83_F7_9 1 PROTON vfadare + + - + + + +
19 14:05:46 JFC-2-277 2 PROTON jcudjoe + + - + + + +
18 13:54:02 JG-1-59b-ether 1 PROTON jgreer + + - + + + +
15 13:11:57 SA-110-re-ether 1 PROTON sarora + + - + + + + sref: reference peak not found default calibration done
13 12:54:09 CW-1-46 1 PROTON cweg + + - + + + +
11 11:18:51 JFC-2-277 1 PROTON jcudjoe + + - + + + +
9 11:13:24 AS-02-217-P3 1 PROTON asingh + + - + + + +
8 11:08:49 Apr14-2026-zaghaei 1 PROTON zaghaei + + - + + + + amide synthesized in second step sref: reference peak not found default calibration done
6 10:37:15 RT_RxnNB_Pg21 1 PROTON rtharp + + - + + + + sref: reference peak not found default calibration done
5 10:32:27 RT_RxnNB_Pg20 2 PROTON rtharp + + - + + + + sref: reference peak not found default calibration done
23 09:40:36 AS-02-216 1 PROTON asingh + + - + + + +
20 19:05:18 phc_2f_dmap_col24 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
19 19:01:20 phc_2f_dmap_col22 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
18 18:57:14 phc_2f_dmap_col18 1 PROTON peichen + + - + + + + sref: reference peak not found default calibration done
16 18:51:18 gz02_79 mecn 1 PROTON gzhang + + - + + + +
16 18:45:40 gz02_79 1 PROTON gzhang + + - + + + + sref: reference peak not found default calibration done
16 17:29:42 VF_7_83_AW 1 PROTON vfadare + + - + + + +
15 17:25:14 CW-1-44 1 PROTON cweg + + - + + + +
14 17:19:46 js_203_D 1 PROTON jschaef + + - + + + + sref: reference peak not found default calibration done
13 17:14:40 SD-01-019-OMe CHECK 04_13_26 2 P31CPD sdutta - + - - - + + sref: reference peak not found default calibration done
13 17:11:40 SD-01-019-OMe CHECK 04_13_26 1 PROTON sdutta + + - + + + +
12 17:06:06 SD-01-019-DME CHECK 04_13_26 2 P31CPD sdutta - + - - - + + sref: reference peak not found default calibration done
12 17:02:57 SD-01-019-DME CHECK 04_13_26 1 PROTON sdutta + + - + + + + sref: reference peak not found default calibration done
10 16:58:30 GZ02_vinyl acetate 1 PROTON gzhang + + - + + + + sref: reference peak not found default calibration done
9 16:49:48 C16_144 1 PROTON jstyers + + - + + + + sref: reference peak not found default calibration done
9 15:36:07 RP-1-150-D 1 PROTON rpierce + + - + + + +
7 14:59:37 RP-1-150-Again 1 PROTON rpierce + + - + + + +
5 13:53:18 MM_276_A 1 PROTON mmckay + + - + + + +
3 13:30:36 CW-1-41-F6-13 1 PROTON cweg + + - + + + +
2 13:26:00 CW-1-42-Plug 1 PROTON cweg + + - + + + +
24 12:52:44 MM_277 1 PROTON mmckay + + - + + + + sref: reference peak not found default calibration done
22 12:48:11 RP-1-150 1 PROTON rpierce + + - + + + +
20 12:43:31 MM_276_B 1 PROTON mmckay + + - + + + + sref: reference peak not found default calibration done
18 11:30:49 CW-05-180_Crude 1 PROTON cwaller + + - + + + +
16 11:25:56 AS-02-217-P2 1 PROTON asingh + + - + + + +
14 11:12:44 AB-01-45-A-completion-20+hr 3 DEUTERIUM_JB abhatia - x - - - + + ATM Failed, zg: DRU warning: 16 ADC-overflow warnings received during acquisition (DRU 1)! For further details please have a look at the log-file /opt/topspin3.2/data/abhatia/nmr/AB-01-45-A-completion-20+hr/3/overflow_log_dru1.txt, sref: lock nucleus off not specified in /opt/topspin3.2/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/topspin3.2/data/abhatia/nmr/AB-01-45-A-completion-20+hr/3/pdata/1/peaks!
14 11:10:18 AB-01-45-A-completion-20+hr 2 P31CPD abhatia - + - - - + +
14 11:03:42 AB-01-45-A-completion-20+hr 1 PROTON abhatia + + - + + + +
12 10:55:36 FG-1-207 4 P31CPD fgonzal - + - - - + + sref: reference peak not found default calibration done
12 10:52:21 FG-1-207 3 PROTON fgonzal + + - + + + +
11 10:47:08 CW-05-178 1 PROTON cwaller + + - + + + + sref: reference peak not found default calibration done
10 10:42:34 PP-8-amino-5-methoxyquinoline 2 PROTON ppatel + + - + + + +