IconNMR Automation Run Status:
Day Experiments:	00:00
Busy Until:	Thu 10:08
Night Experiments:	01:32

Setup List

Holder	Status	Name	ExpNo	Experiment	User	Time	Title
1	Completed	20241121-1002-B400_B.14-1	10	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	v67557bm	00:01:21	Ref BM546 Group Willcox_D
1	Submitted	20241121-1002-B400_B.14-1	11	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	v67557bm	00:52:45	Ref BM546 Group Willcox_D
1	Submitted	20241121-1002-B400_B.14-1	12	c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec	v67557bm	00:17:20	Ref BM546 Group Willcox_D
1	Submitted	20241121-1002-B400_B.14-1	13	c H1_C13_HSQCed_Night Proton-Carbon HSQC multiplicity Edited, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 22 min 49 sec	v67557bm	00:22:39	Ref BM546 Group Willcox_D
2	Completed	20241121-0848-B400_B.14-2	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	m14269jw	00:01:21	Ref IR-JW-2075-RxnMix-DCM Group Riddell_I
3	Completed	20241121-0848-B400_B.14-3	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	m14269jw	00:01:21	Ref IR-JW-2075-RxnMix-THF Group Riddell_I
4	Completed	20241121-0856-B400_B.14-4	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	p12053vc	00:01:21	Ref VC1682 Group Procter_D
5	Completed	20241121-0857-B400_B.14-5	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	p12053vc	00:01:21	Ref VC1679 Group Procter_D
6	Completed	20241121-0901-B400_B.14-6	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	x73847lm	00:01:21	Ref IR-LJM-01-069C Group Riddell_I
7	Completed	20241121-0849-B400_B.14-7	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	m14269jw	00:01:21	Ref IR-JW-3015-L Group Riddell_I
8	Completed	20241121-0850-B400_B.14-8	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	m14269jw	00:01:21	Ref IR-JWW-2059-C Group Riddell_I
9	Completed	20241121-0850-B400_B.14-9	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	m14269jw	00:01:21	Ref IR-JW-2067-F Group Riddell_I
10	Completed	20241121-0903-B400_B.14-10	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	j40457bh	00:01:21	Ref bh3-51 Group Trowbridge_A
11	Completed	20241121-0904-B400_B.14-11	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	j40457bh	00:01:21	Ref bh3-54a Group Trowbridge_A
12	Completed	20241121-0904-B400_B.14-12	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	j40457bh	00:01:21	Ref bh3-54b Group Trowbridge_A
14	Error	20241120-0927-B400_B.14-14	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	m14269jw	00:01:21	Ref IR-JW-2075-Crude Group Riddell_I
16	Completed	20241121-0905-B400_B.14-16	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	j40457bh	00:01:21	Ref bh3-55a Group Trowbridge_A
17	Completed	20241121-0905-B400_B.14-17	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	j40457bh	00:01:21	Ref bh3-55b Group Trowbridge_A
18	Completed	20241121-0905-B400_B.14-18	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	j40457bh	00:01:21	Ref bh3-38 (sn) Group Trowbridge_A
19	Completed	20241120-2252-B400_B.14-19	10	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	m09677nb	00:01:21	Ref 85 1st spot Group Greaney_M
20	Completed	20241120-2252-B400_B.14-20	10	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	m09677nb	00:01:21	Ref 85 2nd spot Group Greaney_M
21	Completed	20241120-1950-B400_B.14-21	10	N H1_WaterSupp_Day Proton experiment with solvent suppression of largest signal	f56027ch	00:02:24	Ref 3h actived -0.9v Group Schroder_M
22	Completed	20241120-1950-B400_B.14-22	10	N H1_WaterSupp_Day Proton experiment with solvent suppression of largest signal	f56027ch	00:02:24	Ref 3h actived -1.0v Group Schroder_M
23	Completed	20241120-1950-B400_B.14-23	10	N H1_WaterSupp_Day Proton experiment with solvent suppression of largest signal	f56027ch	00:02:24	Ref 3h actived -1.1v Group Schroder_M
28	Completed	20241120-1017-B400_B.14-28	10	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	u67812sg	00:13:16	Ref sq-01-014 Group Procter_D
29	Completed	20241120-1106-B400_B.14-29	10	n H1_Night	w57618gb	00:01:21	Ref DJP_GBhousanefuran_1H Group Procter_D
29	Completed	20241120-1106-B400_B.14-29	11	n H1_C13_HMBC_US_Night	w57618gb	00:17:20	Ref DJP-GBfuranhousane_HMBC Group Procter_D
29	Completed	20241120-1106-B400_B.14-29	12	n H1_COSY_HiRes_Night COSY, ns = 1, sw = 12 ppm, centre (o1p) = 6 ppm, time = 31 min 2 sec	w57618gb	00:11:02	Ref DJP-GBfuranhousane_COSY Group Procter_D
29	Completed	20241120-1106-B400_B.14-29	13	n C13_DEPT135_Night DEPT135, proton decoupled, ns = 128, sw = 238 ppm, centre (o1p) = 100 ppm, time = 7 min 29 sec	w57618gb	00:07:29	Ref DJP-GBfuranhousane_DEPT Group Procter_D
29	Completed	20241120-1106-B400_B.14-29	14	c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec	w57618gb	00:11:14	Ref DJP-GBfuranhousane_HSQC Group Procter_D
30	Completed	20241120-1106-B400_B.14-30	10	n H1_Night	w57618gb	00:01:21	Ref DJP_GBhousanemOMe_1H Group Procter_D
30	Completed	20241120-1106-B400_B.14-30	11	n H1_C13_HMBC_US_Night	w57618gb	00:17:20	Ref DJP_GBhousanemOMe_HMBC Group Procter_D
30	Completed	20241120-1106-B400_B.14-30	12	n H1_COSY_HiRes_Night COSY, ns = 1, sw = 12 ppm, centre (o1p) = 6 ppm, time = 31 min 2 sec	w57618gb	00:11:02	Ref DJP_GBhousanemOMe_COSY Group Procter_D
30	Completed	20241120-1106-B400_B.14-30	13	n C13_DEPT135_Night DEPT135, proton decoupled, ns = 128, sw = 238 ppm, centre (o1p) = 100 ppm, time = 7 min 29 sec	w57618gb	00:07:29	Ref DJP_GBhousanemOMe_DEPT Group Procter_D
30	Completed	20241120-1106-B400_B.14-30	14	c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec	w57618gb	00:11:14	Ref DJP_GBhousanemOMe_HSQC Group Procter_D
31	Completed	20241120-1852-B400_B.14-31	10	n H1_Night128 Proton, ns = 128, sw = 20 ppm, centre (o1p) = 6 ppm, time = 10 min 56 sec	b64833pg	00:10:55	Ref MLT-PCG-007-3 IDTBT Group Turner_M
31	Completed	20241120-1852-B400_B.14-31	11	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	b64833pg	00:13:16	Ref MLT-PCG-007-3 IDTBT Group Turner_M
31	Completed	20241120-1852-B400_B.14-31	12	n H1_COSY_HiRes_Night COSY, ns = 1, sw = 12 ppm, centre (o1p) = 6 ppm, time = 31 min 2 sec	b64833pg	00:11:02	Ref MLT-PCG-007-3 IDTBT Group Turner_M
32	Completed	20241120-1856-B400_B.14-32	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	k52190db	00:01:21	Ref DB_71_A Group Larrosa_I
32	Completed	20241120-1856-B400_B.14-32	11	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	k52190db	00:13:16	Ref DB_71_A Group Larrosa_I
33	Completed	20241120-1856-B400_B.14-33	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	k52190db	00:01:21	Ref DB_71_B Group Larrosa_I
33	Completed	20241120-1856-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	k52190db	00:13:16	Ref DB_71_B Group Larrosa_I
34	Completed	20241120-1900-B400_B.14-34	10	N H1_Day Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6.175 ppm, time = 1 min 22 sec	p12053vc	00:01:21	Ref VC1677_1 Group Procter_D
35	Completed	20241120-1539-B400_B.14-35	11	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	j40457bh	00:13:16	Ref bh3-49c1fr9 Group Trowbridge_A
36	Completed	20241120-2009-B400_B.14-36	10	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	a74776dr	00:01:21	Ref DJP-DR-1-142-later fraction Group Procter_D
36	Completed	20241120-2009-B400_B.14-36	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-1-142-later fraction Group Procter_D
36	Completed	20241120-2009-B400_B.14-36	12	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-1-142-later fraction Group Procter_D
38	Error	20241119-1749-B400_B.14-38	10	N H1_DoubleSuppression_Day Proton experiment, suppresses the two largest signals in the spectrum	u36788yy	00:01:21	Ref CPD Group Webb_S
38	Error	20241119-1749-B400_B.14-38	11	N H1_COSY_Day Fast COSY using non-uniform sampling, ns = 1, sw = 12 ppm , centre (o1p) = 6 ppm, time = 2 min 50 sec	u36788yy	00:05:31	Ref CPD Group Webb_S
38	Error	20241119-1749-B400_B.14-38	12	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	u36788yy	00:13:16	Ref CPD Group Webb_S
38	Error	20241119-1749-B400_B.14-38	13	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	u36788yy	00:01:21	Ref CPD Group Webb_S
38	Error	20241119-1749-B400_B.14-38	14	c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec	u36788yy	00:11:14	Ref CPD Group Webb_S
38	Error	20241119-1749-B400_B.14-38	15	c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec	u36788yy	00:17:20	Ref CPD Group Webb_S
41	Error	20241118-1706-B400_B.14-41	10	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	w52164bc	00:01:21	Ref BC-01-595 Group James_M
41	Error	20241118-1706-B400_B.14-41	11	c H1_C13_HSQCed_Night Proton-Carbon HSQC multiplicity Edited, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 22 min 49 sec	w52164bc	00:22:39	Ref BC-01-595 Group James_M
41	Error	20241118-1706-B400_B.14-41	12	c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec	w52164bc	00:17:20	Ref BC-01-595 Group James_M
41	Error	20241118-1706-B400_B.14-41	13	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	w52164bc	00:13:16	Ref BC-01-595 Group James_M
41	Error	20241118-1706-B400_B.14-41	14	n H1_COSY_HiRes_Night COSY, ns = 1, sw = 12 ppm, centre (o1p) = 6 ppm, time = 31 min 2 sec	w52164bc	00:11:02	Ref BC-01-595 Group James_M
43	Completed	20241120-1632-B400_B.14-43	12	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	u67812sg	00:13:16	Ref sq-01-015 Group Procter_D
44	Error	20241118-1710-B400_B.14-44	12	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	h68355ac	00:13:16	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D
44	Error	20241118-1710-B400_B.14-44	13	n H1_Night Proton, ns = 16, sw = 20 ppm, centre (o1p) = 6 ppm, time = 1 min 22 sec	h68355ac	00:01:21	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D
44	Error	20241118-1710-B400_B.14-44	14	c H1_C13_HSQC_US_Night Proton-Carbon HSQC, ns = 4, sw = auto, 159, centre (o1p) = auto, 74 ppm, time = 13 min 49 sec	h68355ac	00:11:14	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D
44	Error	20241118-1710-B400_B.14-44	15	c H1_C13_HMBC_US_Night Proton-Carbon HMBC, ns = 8, sw = auto, 222, centre (o1p) = auto, 99 ppm, time = 33 min 39 sec	h68355ac	00:17:20	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D
49	Completed	20241120-1219-B400_B.14-49	12	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	v43419jm	00:13:16	Ref jmg019cp Group Crisenza_G
50	Completed	20241120-1636-B400_B.14-50	11	n C13_CPD_Night256 Carbon, proton decoupled, ns = 256, sw = 318 ppm, centre (o1p) = 100 ppm, time = 13 min 16 sec	v43419jm	00:13:16	Ref jmg020f12-30 Group Crisenza_G
51	Completed	20241120-1617-B400_B.14-51	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-1 Group Dryfe_R 20241118_#4 Cu2OC_0h
52	Completed	20241120-1617-B400_B.14-52	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-2 Group Dryfe_R 20241118_#4 Cu2OC_-1.3V_1h
53	Completed	20241120-1617-B400_B.14-53	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-3 Group Dryfe_R 20241118_#4 Cu2OC_-1.4V_1h
54	Completed	20241120-1617-B400_B.14-54	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-4 Group Dryfe_R 20241118_#4 Cu2OC_-1.5V_1h
55	Completed	20241120-1617-B400_B.14-55	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-5 Group Dryfe_R 20241118_#4 Cu2OC_-1.6V_1h
56	Completed	20241120-1617-B400_B.14-56	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-6 Group Dryfe_R 20241118_#4 Cu2OC_-1.7V_1h
57	Completed	20241120-1617-B400_B.14-57	10	n H1_Quant_d1_56s_Night	f25293ck	00:18:02	Ref rd-ck-7 Group Dryfe_R 20241118_#4 Cu2OC_-1.8V_1h
59	Error	20241120-1321-B400_B.14-59	10	n Al27_Day Aluminium, ns = 64, time = 10 min 30 sec	b78349dw	00:01:23	Ref DW02_005 Group Willcox_D

History List

Holder	Time	Name	ExpNo	Experiment	User	Load	Atma	Spin	Lock	Shim	Acq	Proc	Title	Remarks
1	10:03:45	20241121-1002-B400_B.14-1	10	H1_Night	v67557bm	+	+	-	+	+	+	+	Ref BM546 Group Willcox_D
18	09:53:17	20241121-0905-B400_B.14-18	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-38 (sn) Group Trowbridge_A
17	09:48:51	20241121-0905-B400_B.14-17	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-55b Group Trowbridge_A
16	09:44:38	20241121-0905-B400_B.14-16	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-55a Group Trowbridge_A
12	09:40:04	20241121-0904-B400_B.14-12	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-54b Group Trowbridge_A
11	09:35:30	20241121-0904-B400_B.14-11	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-54a Group Trowbridge_A
10	09:30:38	20241121-0903-B400_B.14-10	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-51 Group Trowbridge_A
9	09:26:18	20241121-0850-B400_B.14-9	10	H1_Day	m14269jw	+	+	-	+	x	+	+	Ref IR-JW-2067-F Group Riddell_I	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
8	09:22:11	20241121-0850-B400_B.14-8	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JWW-2059-C Group Riddell_I
7	09:16:13	20241121-0849-B400_B.14-7	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-3015-L Group Riddell_I
6	09:11:57	20241121-0901-B400_B.14-6	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-069C Group Riddell_I
5	09:07:21	20241121-0857-B400_B.14-5	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1679 Group Procter_D
4	09:02:15	20241121-0856-B400_B.14-4	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1682 Group Procter_D
3	08:58:00	20241121-0848-B400_B.14-3	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2075-RxnMix-THF Group Riddell_I
2	08:53:45	20241121-0848-B400_B.14-2	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2075-RxnMix-DCM Group Riddell_I
1	08:49:45	20241121-0848-B400_B.14-1	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2075-RxnMix-EtOH Group Riddell_I
20	07:09:20	20241120-2252-B400_B.14-20	10	H1_Night	m09677nb	+	+	-	+	+	+	+	Ref 85 2nd spot Group Greaney_M
19	07:04:42	20241120-2252-B400_B.14-19	10	H1_Night	m09677nb	+	+	-	+	+	+	+	Ref 85 1st spot Group Greaney_M
36	06:56:14	20241120-2009-B400_B.14-36	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-142-later fraction Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	06:41:44	20241120-2009-B400_B.14-36	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-142-later fraction Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	06:36:54	20241120-2009-B400_B.14-36	10	H1_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-142-later fraction Group Procter_D
23	06:30:20	20241120-1950-B400_B.14-23	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3h actived -1.1v Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22	06:24:03	20241120-1950-B400_B.14-22	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3h actived -1.0v Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21	06:16:30	20241120-1950-B400_B.14-21	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3h actived -0.9v Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	06:10:09	20241120-1921-B400_B.14-9	11	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 557 1 Group Larrosa_I
9	06:05:19	20241120-1921-B400_B.14-9	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 557 1 Group Larrosa_I
34	06:00:46	20241120-1900-B400_B.14-34	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1677_1 Group Procter_D
33	05:46:21	20241120-1856-B400_B.14-33	11	C13_CPD_Night256	k52190db	-	+	-	-	-	+	+	Ref DB_71_B Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33	05:41:24	20241120-1856-B400_B.14-33	10	H1_Day	k52190db	+	+	-	+	+	+	+	Ref DB_71_B Group Larrosa_I
32	05:26:59	20241120-1856-B400_B.14-32	11	C13_CPD_Night256	k52190db	-	+	-	-	-	+	+	Ref DB_71_A Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32	05:22:29	20241120-1856-B400_B.14-32	10	H1_Day	k52190db	+	+	-	+	+	+	+	Ref DB_71_A Group Larrosa_I
31	05:10:41	20241120-1852-B400_B.14-31	12	H1_COSY_HiRes_Night	b64833pg	-	+	-	-	-	+	+	Ref MLT-PCG-007-3 IDTBT Group Turner_M
31	04:56:13	20241120-1852-B400_B.14-31	11	C13_CPD_Night256	b64833pg	-	+	-	-	-	+	+	Ref MLT-PCG-007-3 IDTBT Group Turner_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31	04:41:56	20241120-1852-B400_B.14-31	10	H1_Night128	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007-3 IDTBT Group Turner_M
6	04:25:28	20241120-1729-B400_B.14-6	10	C13_CPD_Night256	z65435tw	+	+	-	+	+	+	+	Ref tw-784-p-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	04:08:39	20241120-1729-B400_B.14-5	11	C13_CPD_Night256	z65435tw	+	+	-	+	+	+	+	Ref tw-790-p-nmr-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50	03:51:56	20241120-1636-B400_B.14-50	11	C13_CPD_Night256	v43419jm	+	+	-	+	+	+	+	Ref jmg020f12-30 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	03:34:58	20241120-1219-B400_B.14-49	12	C13_CPD_Night256	v43419jm	+	+	-	+	+	+	+	Ref jmg019cp Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43	03:17:55	20241120-1632-B400_B.14-43	12	C13_CPD_Night256	u67812sg	+	+	-	+	+	+	+	Ref sq-01-015 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	02:53:43	20241120-1625-B400_B.14-2	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-2 Group Dryfe_R 20241119_#12 AgCu2OC_-1.3V_0h
1	02:29:50	20241120-1625-B400_B.14-1	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-1 Group Dryfe_R 20241119_#12 AgCu2OC_0h
57	02:05:55	20241120-1617-B400_B.14-57	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-7 Group Dryfe_R 20241118_#4 Cu2OC_-1.8V_1h
56	01:41:32	20241120-1617-B400_B.14-56	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-6 Group Dryfe_R 20241118_#4 Cu2OC_-1.7V_1h
55	01:17:36	20241120-1617-B400_B.14-55	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-5 Group Dryfe_R 20241118_#4 Cu2OC_-1.6V_1h
54	00:53:37	20241120-1617-B400_B.14-54	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-4 Group Dryfe_R 20241118_#4 Cu2OC_-1.5V_1h
53	00:29:59	20241120-1617-B400_B.14-53	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-3 Group Dryfe_R 20241118_#4 Cu2OC_-1.4V_1h
52	00:06:21	20241120-1617-B400_B.14-52	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-2 Group Dryfe_R 20241118_#4 Cu2OC_-1.3V_1h
51	23:42:02	20241120-1617-B400_B.14-51	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-1 Group Dryfe_R 20241118_#4 Cu2OC_0h
18	23:18:09	20241120-1611-B400_B.14-17	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-8 Group Dryfe_R 20241118_#11 AgCu2OC_-1.3V_0.5h_after 1.8V
17	22:54:13	20241120-1613-B400_B.14-17	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-7 Group Dryfe_R 20241118_#11 AgCu2OC_-1.8V_1h
16	22:29:17	20241120-1611-B400_B.14-16	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-6 Group Dryfe_R 20241118_#11 AgCu2OC_-1.7V_1h
35	22:07:55	20241120-1539-B400_B.14-35	11	C13_CPD_Night256	j40457bh	+	+	-	+	x	+	+	Ref bh3-49c1fr9 Group Trowbridge_A	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
59	22:06:47	20241120-1321-B400_B.14-59	10	Al27_Day	b78349dw	+	x	-	-	-	-	-	Ref DW02_005 Group Willcox_D	ATMA Select Nucleus failed, ATM Failed
30	21:54:28	20241120-1106-B400_B.14-30	14	H1_C13_HSQC_US_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP_GBhousanemOMe_HSQC Group Procter_D
30	21:45:59	20241120-1106-B400_B.14-30	13	C13_DEPT135_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP_GBhousanemOMe_DEPT Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	21:34:06	20241120-1106-B400_B.14-30	12	H1_COSY_HiRes_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP_GBhousanemOMe_COSY Group Procter_D
30	21:15:42	20241120-1106-B400_B.14-30	11	H1_C13_HMBC_US_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP_GBhousanemOMe_HMBC Group Procter_D
30	21:10:30	20241120-1106-B400_B.14-30	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP_GBhousanemOMe_1H Group Procter_D
29	20:58:10	20241120-1106-B400_B.14-29	14	H1_C13_HSQC_US_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP-GBfuranhousane_HSQC Group Procter_D
29	20:49:43	20241120-1106-B400_B.14-29	13	C13_DEPT135_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP-GBfuranhousane_DEPT Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	20:37:50	20241120-1106-B400_B.14-29	12	H1_COSY_HiRes_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP-GBfuranhousane_COSY Group Procter_D
29	20:19:26	20241120-1106-B400_B.14-29	11	H1_C13_HMBC_US_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP-GBfuranhousane_HMBC Group Procter_D
29	20:14:58	20241120-1106-B400_B.14-29	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP_GBhousanefuran_1H Group Procter_D
28	19:57:45	20241120-1017-B400_B.14-28	10	C13_CPD_Night256	u67812sg	+	+	-	+	+	+	+	Ref sq-01-014 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8	19:49:17	20241120-0947-B400_B.14-8	12	C13_DEPT135_Night	m66419al	-	+	-	-	-	+	+	Ref ALWS5 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8	19:32:34	20241120-0947-B400_B.14-8	11	C13_CPD_Night256	m66419al	+	+	-	+	+	+	+	Ref ALWS5 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	19:23:48	20241120-0947-B400_B.14-7	12	C13_DEPT135_Night	m66419al	-	+	-	-	-	+	+	Ref ALWS 4 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	19:07:00	20241120-0947-B400_B.14-7	11	C13_CPD_Night256	m66419al	+	+	-	+	+	+	+	Ref ALWS 4 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27	18:49:58	20241120-1016-B400_B.14-27	10	C13_CPD_Night256	u67812sg	+	+	-	+	+	+	+	Ref sq-01-013 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	18:32:54	20241120-1005-B400_B.14-26	11	C13_CPD_Night256	u67812sg	+	+	-	+	+	+	+	Ref sq-01-014-2 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	18:27:58	20241120-1404-B400_B.14-25	11	H1_ExtraWide_Night	j92926fr	-	+	-	-	-	+	+	Ref complex filtrate Group Webb_S
25	18:13:41	20241120-1404-B400_B.14-25	10	H1_Night128	j92926fr	+	+	-	+	+	+	+	Ref complex filtrate Group Webb_S
21	17:56:54	20241120-1347-B400_B.14-21	10	C13_CPD_Night256	t91715jk	+	+	-	+	+	+	+	Ref JK047 recrys2 carbon in DMSO Group Gibson_M JK047 recrys2 carbon in DMSO	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19	17:50:52	20241120-1456-B400_B.14-19	11	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-52 Group Trowbridge_A
9	17:46:07	20241120-1731-B400_B.14-9	10	H1_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-592c filtr Group Larrosa_I
6	17:41:48	20241120-1729-B400_B.14-6	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-784-p-1h-cdcl3 Group Crisenza_G
5	17:37:17	20241120-1729-B400_B.14-5	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-790-p-nmr-1h-cdcl3 Group Crisenza_G
4	17:33:36	20241120-1702-B400_B.14-4	10	H1_Quant_NS1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-132cTMB Group James_M
3	17:29:07	20241120-1702-B400_B.14-3	10	H1_Quant_NS1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-131cTMB Group James_M
58	17:24:47	20241120-1646-B400_B.14-58	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM548 Group Willcox_D
50	17:20:12	20241120-1636-B400_B.14-50	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg020f12-30 Group Crisenza_G
49	17:14:25	20241120-1219-B400_B.14-49	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg019cp Group Crisenza_G
48	17:12:22	20241120-1635-B400_B.14-48	10	H1_Day	n06287cb	+	+	-	x	-	-	-	Ref IL-CB-592 filtr Group Larrosa_I	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
47	17:06:51	20241120-1634-B400_B.14-47	10	H1_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-591 filtr Group Larrosa_I
46	17:01:49	20241120-1633-B400_B.14-46	11	F19_Quant_D1_8s_Day	n06287cb	-	+	-	-	-	+	+	Ref IL-CB-594 t=24h Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
46	16:49:45	20241120-1633-B400_B.14-46	10	H1_Quant_D1_25s_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-594 t=24h Group Larrosa_I
45	16:45:29	20241120-1622-B400_B.14-45	10	H1_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF Group Jones_S PKSPMA_2_FreezeD_D2O
43	16:41:15	20241120-1632-B400_B.14-43	11	F19_CPD_Day	u67812sg	-	+	-	-	-	+	+	Ref sq-01-015 Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
43	16:36:56	20241120-1632-B400_B.14-43	10	H1_Day	u67812sg	+	+	-	+	+	+	+	Ref sq-01-015 Group Procter_D
42	16:30:59	20241120-1606-B400_B.14-42	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-051 T0 Group Mehta_M
41	16:26:42	20241118-1706-B400_B.14-41	15	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-E10t40 Group Gibson_M
40	16:22:17	20241120-1217-B400_B.14-40	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-B5t40 Group Gibson_M
39	16:18:04	20241120-1217-B400_B.14-39	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H3t40 Group Gibson_M
38	16:13:35	20241119-1749-B400_B.14-38	16	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-119-0 Group Procter_D
37	16:09:23	20241120-1549-B400_B.14-37	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-135-1d Group Procter_D
36	16:04:14	20241120-1549-B400_B.14-36	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-135-1c Group Procter_D
35	15:59:15	20241120-1539-B400_B.14-35	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-49c1fr9 Group Trowbridge_A
34	15:54:48	20241120-1539-B400_B.14-34	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-49c1fr3 Group Trowbridge_A
33	15:51:24	20241120-1514-B400_B.14-33	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC65C 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/20241120-1514-B400_B.14-33/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241120-1514-B400_B.14-33/10/pdata/1/peaks!
32	15:47:59	20241120-1514-B400_B.14-32	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC65B 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/20241120-1514-B400_B.14-32/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241120-1514-B400_B.14-32/10/pdata/1/peaks!
31	15:44:27	20241120-1514-B400_B.14-31	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC65A 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/20241120-1514-B400_B.14-31/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241120-1514-B400_B.14-31/10/pdata/1/peaks!
24	15:40:08	20241120-1433-B400_B.14-24	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-F12t0 Group Gibson_M
23	15:31:13	20241120-1433-B400_B.14-23	10	H1_Day	t31251im	+	+	-	+	x	+	+	Ref MIG-IM-1-IM012-3-E11t0 Group Gibson_M	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
22	15:26:59	20241120-1433-B400_B.14-22	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-D11t0 Group Gibson_M
20	15:15:16	20241120-1500-B400_B.14-20	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1397 Group Larrosa_I
19	15:10:43	20241120-1456-B400_B.14-19	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM729-1 Group Bures_J
18	15:07:15	20241120-1451-B400_B.14-18	11	F19_CPD_Day	p15839kb	-	+	-	-	-	+	+	Ref KB-MeCN-OMe-Bis Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18	15:03:16	20241120-1451-B400_B.14-18	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-MeCN-OMe-Bis Group Larrosa_I
17	14:59:10	20241120-1432-B400_B.14-17	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-C11t0 Group Gibson_M
16	14:54:32	20241120-1432-B400_B.14-16	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-B11t0 Group Gibson_M
15	14:50:00	20241120-1432-B400_B.14-15	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-A11t0 Group Gibson_M
11	14:43:41	20241120-1312-B400_B.14-11	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK047 recrys2 in DMSO Group Gibson_M JK047 recrys2 in DMSO
11	14:39:31	20241120-1312-B400_B.14-11	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK047 recrys2 in DMSO Group Gibson_M JK047 recrys2 in DMSO
5	14:34:38	20241120-1430-B400_B.14-5	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1402 Group Larrosa_I
4	14:30:07	20241120-1419-B400_B.14-4	10	H1_Day	g51050xx	+	+	-	+	+	+	+	Ref xxt-10 Group Gardiner_J
3	14:18:12	20241120-1326-B400_B.14-63	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1400 Group Larrosa_I
2	14:07:15	20241120-1326-B400_B.14-62	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1399 Group Larrosa_I
1	13:55:45	20241120-1326-B400_B.14-61	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1398 Group Larrosa_I
60	13:51:43	20241120-1326-B400_B.14-60	10	H1_ExtraWide_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1397 Group Larrosa_I
59	13:47:27	20241120-1321-B400_B.14-59	11	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_005 Group Willcox_D
58	13:42:52	20241120-1307-B400_B.14-58	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB189 Group Crisenza_G
57	13:37:53	20241120-1302-B400_B.14-57	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-50 Group Trowbridge_A
56	13:33:36	20241120-1302-B400_B.14-56	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-49 Group Trowbridge_A
55	13:28:55	20241120-1302-B400_B.14-55	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-48 Group Trowbridge_A
54	13:23:28	20241120-1223-B400_B.14-54	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 B 80c o/n Group Mehta_M
53	13:17:53	20241120-1223-B400_B.14-53	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 A 80c o/n Group Mehta_M
52	13:14:43	20241120-1223-B400_B.14-52	10	P31_CPD_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B PPh3 + electrophile Group Mehta_M
51	13:12:31	20241120-1154-B400_B.14-51	11	H1_Day	t91715jk	-	+	-	-	-	+	+	Ref JK031-2 in D2O Group Gibson_M JK031-2 in D2O	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Gibson_M/data/t91715jk/nmr/20241120-1154-B400_B.14-51/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Gibson_M/data/t91715jk/nmr/20241120-1154-B400_B.14-51/11/pdata/1/peaks!
51	13:04:21	20241120-1154-B400_B.14-51	10	H1_WaterSupp_Day	t91715jk	+	+	-	+	+	+	+	Ref JK031-2 in D2O Group Gibson_M JK031-2 in D2O	sref: reference peak not found default calibration done; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Gibson_M/data/t91715jk/nmr/20241120-1154-B400_B.14-51/10/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Gibson_M/data/t91715jk/nmr/20241120-1154-B400_B.14-51/10/pdata/1/peaks!
50	12:59:45	20241120-1219-B400_B.14-50	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H5t40 Group Gibson_M
49	12:55:27	20241120-1219-B400_B.14-49	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-C6t40 Group Gibson_M
48	12:51:14	20241120-1219-B400_B.14-48	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-F4t40 Group Gibson_M
47	12:46:34	20241120-1153-B400_B.14-47	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1237 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	12:41:24	20241120-1153-B400_B.14-47	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1237 Group Larrosa_I
46	12:36:44	20241120-1153-B400_B.14-46	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1235 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	12:31:41	20241120-1153-B400_B.14-46	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1235 Group Larrosa_I
45	12:26:50	20241120-1153-B400_B.14-45	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1229 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
45	12:21:31	20241120-1153-B400_B.14-45	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1229 Group Larrosa_I
37	12:19:27	20241120-1141-B400_B.14-37	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 555 1 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241120-1141-B400_B.14-37/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241120-1141-B400_B.14-37/12/pdata/1/peaks!
37	12:17:16	20241120-1141-B400_B.14-37	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 555 1 Group Larrosa_I
37	12:14:11	20241120-1141-B400_B.14-37	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 555 1 Group Larrosa_I
36	12:11:13	20241120-1141-B400_B.14-36	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 554 1 Group Larrosa_I
35	12:09:09	20241120-1141-B400_B.14-35	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 553 1 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241120-1141-B400_B.14-35/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241120-1141-B400_B.14-35/12/pdata/1/peaks!
35	12:06:57	20241120-1141-B400_B.14-35	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 553 1 Group Larrosa_I
35	12:03:34	20241120-1141-B400_B.14-35	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 553 1 Group Larrosa_I
34	11:59:02	20241120-1119-B400_B.14-34	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH101DI PPT Group Greaney_M
33	11:54:47	20241120-1119-B400_B.14-33	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH002HBPO-Ts MeCN Group Greaney_M
32	11:49:50	20241120-1103-B400_B.14-32	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Dppen Squaramide OME not totl sol 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
32	11:45:41	20241120-1103-B400_B.14-32	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref Dppen Squaramide OME not totl sol Group Larrosa_I
31	11:40:58	20241120-1103-B400_B.14-31	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-Ome cat Aniline Br Hep Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
31	11:36:59	20241120-1103-B400_B.14-31	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-Ome cat Aniline Br Hep Group Larrosa_I
25	11:32:19	20241120-1101-B400_B.14-24	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1236 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	11:27:53	20241120-1101-B400_B.14-24	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1236 Group Larrosa_I
24	11:23:13	20241120-1101-B400_B.14-25	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1233 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
24	11:18:18	20241120-1101-B400_B.14-25	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1233 Group Larrosa_I
23	11:13:30	20241120-1101-B400_B.14-23	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Np acetona Aniline Br ehp Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	11:09:44	20241120-1101-B400_B.14-23	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref Np acetona Aniline Br ehp Group Larrosa_I
21	11:03:27	20241120-1035-B400_B.14-21	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK031-2 DMSO Group Gibson_M JK031-2 DMSO
21	10:59:08	20241120-1035-B400_B.14-21	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK031-2 DMSO Group Gibson_M JK031-2 DMSO
8	10:55:09	20241120-0947-B400_B.14-8	10	H1_Day	m66419al	+	+	-	+	+	+	+	Ref ALWS5 Group Other
7	10:50:45	20241120-0947-B400_B.14-7	10	H1_Day	m66419al	+	+	-	+	+	+	+	Ref ALWS 4 Group Other
55	10:46:55	20241120-1021-B400_B.14-55	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref PrN"3+NBO 2days Group Liddle_S
54	10:43:27	20241120-1020-B400_B.14-54	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref CeN"3+NBO 2days Group Liddle_S
53	10:39:22	20241120-1020-B400_B.14-53	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref LaN"3+NBO 2days Group Liddle_S
52	10:33:03	20241120-0942-B400_B.14-52	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK047 recrys DMSO Group Gibson_M JK047 recrys DMSO
52	10:28:41	20241120-0942-B400_B.14-52	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK047 recrys DMSO Group Gibson_M JK047 recrys DMSO
51	10:22:22	20241120-0942-B400_B.14-51	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK047 DMSO Group Gibson_M JK047 DMSO
51	10:17:47	20241120-0942-B400_B.14-51	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK047 DMSO Group Gibson_M JK047 DMSO
26	10:15:26	20241120-1005-B400_B.14-26	12	F19_CPD_Day	u67812sg	-	+	-	-	-	+	+	Ref sq-01-014-2 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26	10:10:34	20241120-1005-B400_B.14-26	10	H1_Day	u67812sg	+	+	-	+	+	+	+	Ref sq-01-014-2 Group Procter_D
25	10:05:37	20241120-0954-B400_B.14-25	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1676 Group Procter_D
24	09:59:16	20241120-0908-B400_B.14-24	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Dppen Sq + NHArCF3 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	09:54:53	20241120-0908-B400_B.14-24	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref Dppen Sq + NHArCF3 Group Larrosa_I
23	09:50:10	20241120-0908-B400_B.14-23	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1222 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	09:46:01	20241120-0908-B400_B.14-23	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	x	+	+	Ref NP-1222 Group Larrosa_I	topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
22	09:41:17	20241120-0908-B400_B.14-22	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1228 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
22	09:37:09	20241120-0908-B400_B.14-22	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1228 Group Larrosa_I
14	09:35:01	20241120-0927-B400_B.14-14	10	H1_Day	m14269jw	+	+	-	x	-	-	-	Ref IR-JW-2075-Crude Group Riddell_I	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
13	09:30:20	20241120-0907-B400_B.14-13	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1234 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
13	09:25:53	20241120-0907-B400_B.14-13	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1234 Group Larrosa_I
12	09:21:13	20241120-0907-B400_B.14-12	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1232 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
12	09:17:01	20241120-0907-B400_B.14-12	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1232 Group Larrosa_I
11	09:11:11	20241120-0907-B400_B.14-11	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1230 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	09:07:20	20241120-0907-B400_B.14-11	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1230 Group Larrosa_I
4	08:44:13	20241120-0834-B400_B.14-4	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB18101Flush Group Crisenza_G
3	08:39:51	20241120-0834-B400_B.14-3	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB18101Product Group Crisenza_G
2	08:35:05	20241120-0834-B400_B.14-2	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB18101FA Group Crisenza_G
40	07:24:57	20241119-1848-B400_B.14-40	11	F19_CPD_Night	m09677nb	-	+	-	-	-	+	+	Ref 85 zincke aliquot Group Greaney_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
40	07:10:35	20241119-1848-B400_B.14-40	10	H1_Night128	m09677nb	+	+	-	+	+	+	+	Ref 85 zincke aliquot Group Greaney_M
22	07:07:56	20241119-1818-B400_B.14-22	13	Li7_NoCPD_Day	b28949om	-	+	-	-	-	+	+	Ref OJM-008c Group Goodwin_C	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
22	07:05:13	20241119-1818-B400_B.14-22	12	Li7_CPD_Day	b28949om	-	+	-	-	-	+	+	Ref OJM-008c Group Goodwin_C	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
22	06:50:46	20241119-1818-B400_B.14-22	11	C13_CPD_Night256	b28949om	-	+	-	-	-	+	+	Ref OJM-008c Group Goodwin_C
22	06:46:39	20241119-1818-B400_B.14-22	10	H1_Night	b28949om	+	+	-	+	+	+	+	Ref OJM-008c Group Goodwin_C
21	06:44:24	20241119-1815-B400_B.14-21	11	H1_Night	b28949om	-	+	-	-	-	+	+	Ref OJM-006b Group Goodwin_C
21	06:26:44	20241119-1815-B400_B.14-21	10	C13_CPD_Night256	b28949om	+	+	-	+	+	+	+	Ref OJM-006b Group Goodwin_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20	06:20:41	20241119-1753-B400_B.14-20	11	F19_Quant_D1_8s_Day	n06287cb	-	+	-	-	-	+	+	Ref IL-CB-594 t=2h Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
20	06:08:35	20241119-1753-B400_B.14-20	10	H1_Quant_D1_25s_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-594 t=2h Group Larrosa_I
39	05:50:11	20241119-1749-B400_B.14-39	15	H1_C13_HMBC_US_Night	u36788yy	-	+	-	-	-	+	+	Ref hs099b Group Webb_S
39	05:37:52	20241119-1749-B400_B.14-39	14	H1_C13_HSQC_US_Night	u36788yy	-	+	-	-	-	+	+	Ref hs099b Group Webb_S
39	05:35:40	20241119-1749-B400_B.14-39	13	H1_Night	u36788yy	-	+	-	-	-	+	+	Ref hs099b Group Webb_S
39	05:20:54	20241119-1749-B400_B.14-39	12	C13_CPD_Night256	u36788yy	-	+	-	-	-	+	+	Ref hs099b Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39	05:14:34	20241119-1749-B400_B.14-39	11	H1_COSY_Day	u36788yy	-	+	-	-	-	+	+	Ref hs099b Group Webb_S
39	05:09:20	20241119-1749-B400_B.14-39	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref hs099b Group Webb_S
38	05:07:07	20241119-1749-B400_B.14-38	10	H1_DoubleSuppression_Day	u36788yy	+	+	-	x	-	-	-	Ref CPD Group Webb_S	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
19	05:02:10	20241119-1727-B400_B.14-19	11	F19_Quant_D1_8s_Day	r64579jc	-	+	-	-	-	+	+	Ref Squaramide DPEEn salt 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
19	04:57:43	20241119-1727-B400_B.14-19	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref Squaramide DPEEn salt Group Larrosa_I
18	04:52:42	20241119-1727-B400_B.14-18	11	F19_Quant_D1_8s_Day	r64579jc	-	+	-	-	-	+	+	Ref NH2 Squaramide salt TMSCl 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
18	04:48:21	20241119-1727-B400_B.14-18	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref NH2 Squaramide salt TMSCl Group Larrosa_I
17	04:43:12	20241119-1727-B400_B.14-17	11	F19_Quant_D1_8s_Day	r64579jc	-	+	-	-	-	+	+	Ref NH2 Squaramide OME 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
17	04:38:16	20241119-1727-B400_B.14-17	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref NH2 Squaramide OME Group Larrosa_I
51	04:21:28	20241119-1721-B400_B.14-51	11	C13_CPD_Night256	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-04 WASH 2 Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	04:17:23	20241119-1702-B400_B.14-14	10	H1_Night	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ299_PC Group Procter_D
13	04:13:03	20241119-1702-B400_B.14-13	10	H1_Night	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ291 Group Procter_D
15	04:08:36	20241119-1702-B400_B.14-15	10	H1_Night	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ300 Group Procter_D
37	04:04:25	20241119-1636-B400_B.14-37	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t210-24h Group Procter_D
36	04:00:01	20241119-1636-B400_B.14-36	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t180-24h Group Procter_D
35	03:55:50	20241119-1636-B400_B.14-35	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t150-24h Group Procter_D
34	03:51:40	20241119-1636-B400_B.14-34	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t120-24h Group Procter_D
33	03:47:13	20241119-1636-B400_B.14-33	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t105-24h Group Procter_D
32	03:42:21	20241119-1636-B400_B.14-32	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t90-24h Group Procter_D
31	03:37:28	20241119-1636-B400_B.14-31	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t75-24h Group Procter_D
30	03:33:03	20241119-1636-B400_B.14-30	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t60-24h Group Procter_D
29	03:28:35	20241119-1636-B400_B.14-29	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t45-24h Group Procter_D
28	03:24:25	20241119-1636-B400_B.14-28	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t30-24h Group Procter_D
27	03:20:11	20241119-1636-B400_B.14-27	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t20-24h Group Procter_D
26	03:15:39	20241119-1636-B400_B.14-26	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t10-24h Group Procter_D
25	03:10:59	20241119-1636-B400_B.14-25	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t0-24h Group Procter_D
24	03:05:22	20241119-1642-B400_B.14-24	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t=240=24h Group Procter_D
23	02:47:38	20241119-1514-B400_B.14-23	11	C13_CPD_Night256	c62220rg	+	+	-	+	+	+	+	Ref at-rg-napth fb Group Trowbridge_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	02:23:46	20241119-1359-B400_B.14-12	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-5 Group Dryfe_R 20241118_#11 AgCu2OC_-1.6V_1h
11	01:59:53	20241119-1359-B400_B.14-11	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-4 Group Dryfe_R 20241118_#11 AgCu2OC_-1.5V_1h
10	01:36:00	20241119-1359-B400_B.14-10	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-3 Group Dryfe_R 20241118_#11 AgCu2OC_-1.4V_1h
9	01:11:53	20241119-1359-B400_B.14-9	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-2 Group Dryfe_R 20241118_#11 AgCu2OC_-1.3V_0.5h
8	00:47:38	20241119-1359-B400_B.14-8	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-1 Group Dryfe_R 20241118_#11 AgCu2OC_0h
47	00:35:52	20241119-1347-B400_B.14-47	14	H1_COSY_HiRes_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
47	00:21:25	20241119-1347-B400_B.14-47	13	C13_CPD_Night256	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47	00:09:06	20241119-1347-B400_B.14-47	12	H1_C13_HSQC_US_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
47	23:48:16	20241119-1347-B400_B.14-47	11	H1_C13_HMBC_US_Night	w52164bc	+	+	-	+	+	+	+	Ref BC-01-597 Group James_M
58	23:35:57	20241118-1825-B400_B.14-58	14	H1_C13_HSQC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 50 crude char Group Larrosa_I
58	23:17:33	20241118-1825-B400_B.14-58	13	H1_C13_HMBC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 50 crude char Group Larrosa_I
58	23:13:01	20241118-1825-B400_B.14-58	12	H1_Night	r64579jc	+	+	-	+	+	+	+	Ref 50 crude char Group Larrosa_I
55	22:54:37	20241118-1822-B400_B.14-54	14	H1_C13_HMBC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 543 solid 2 char Group Larrosa_I
55	22:40:11	20241118-1822-B400_B.14-54	13	C13_CPD_Night256	r64579jc	-	+	-	-	-	+	+	Ref 543 solid 2 char Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55	22:27:50	20241118-1822-B400_B.14-54	12	H1_C13_HSQC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 543 solid 2 char Group Larrosa_I
55	22:23:03	20241118-1822-B400_B.14-54	11	H1_Night	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 2 char Group Larrosa_I
53	22:01:38	20241118-1822-B400_B.14-53	14	H1_C13_HMBC_US_Night	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 1 char Group Larrosa_I
7	21:37:59	20241118-1747-B400_B.14-7	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-7 Group Dryfe_R 20241114_#15 AgCu2OC_-1.8V_1h
6	21:14:05	20241118-1747-B400_B.14-6	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-6 Group Dryfe_R 20241114_#15 AgCu2OC_-1.7V_1h
5	20:49:54	20241118-1747-B400_B.14-5	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-5 Group Dryfe_R 20241114_#15 AgCu2OC_-1.6V_1h
4	20:26:01	20241118-1747-B400_B.14-4	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-4 Group Dryfe_R 20241114_#15 AgCu2OC_-1.5V_1h
3	20:02:20	20241118-1747-B400_B.14-3	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-3 Group Dryfe_R 20241114_#15 AgCu2OC_-1.4V_1h
2	19:38:42	20241118-1747-B400_B.14-2	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-2 Group Dryfe_R 20241114_#15 AgCu2OC_-1.3V_1h
1	19:14:38	20241118-1747-B400_B.14-1	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-1 Group Dryfe_R 20241114_#15 AgCu2OC_0h
52	18:53:23	20241118-1752-B400_B.14-52	15	H1_C13_HMBC_US_Night	u36788yy	+	+	-	+	+	+	+	Ref N3Aib4-L-NH-Ala Group Simon Webb
16	18:50:12	20241119-1704-B400_B.14-16	10	P31_CPD_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A PPh3+electrophile Group Mehta_M
60	18:44:45	20241119-1726-B400_B.14-60	10	H1_Quant_NS1_Day	r64579jc	+	+	-	+	+	+	+	Ref NP-1225 Group Larrosa_I
59	18:39:48	20241119-1726-B400_B.14-59	10	H1_Quant_NS1_Day	r64579jc	+	+	-	+	+	+	+	Ref NP-1224 Group Larrosa_I
57	18:37:04	20241119-1725-B400_B.14-56	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 552 s2 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
57	18:32:32	20241119-1725-B400_B.14-56	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 552 s2 Group Larrosa_I
56	18:26:16	20241119-1725-B400_B.14-55	12	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 551 o2 Group Larrosa_I
56	18:23:19	20241119-1725-B400_B.14-55	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 551 o2 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
56	18:18:39	20241119-1725-B400_B.14-55	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 551 o2 Group Larrosa_I
54	18:12:18	20241119-1725-B400_B.14-54	12	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 551 o1 Group Larrosa_I
54	18:09:03	20241119-1725-B400_B.14-54	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 551 o1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
54	18:04:20	20241119-1725-B400_B.14-54	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 551 o1 Group Larrosa_I
51	17:58:46	20241119-1721-B400_B.14-51	10	H1_Day	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-04 WASH 2 Group DeBo_G
50	17:54:31	20241119-1707-B400_B.14-50	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 62 Group Greaney_M
49	17:49:44	20241119-1645-B400_B.14-49	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-070-F15 Group Riddell_I
48	17:45:24	20241119-1645-B400_B.14-48	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-070 check Group Riddell_I
46	17:40:46	20241119-1636-B400_B.14-38	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg018f21-23 Group Crisenza_G
45	17:37:03	20241119-1639-B400_B.14-45	10	F19_NoCPD_Day	q85514th	+	+	-	+	+	+	+	Ref TH001PPS F64 Group Greaney_M	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44	17:30:46	20241118-1710-B400_B.14-44	17	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F2(2) Group Webb_S
44	17:25:50	20241118-1710-B400_B.14-44	16	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-212-F2(2) Group Webb_S
43	17:21:36	20241119-1639-B400_B.14-43	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH001BPPS-C Group Greaney_M
42	17:15:29	20241119-1636-B400_B.14-40	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-135-1b Group Procter_D
40	17:10:25	20241119-1555-B400_B.14-40	11	F19_Quant_D1_8s_Day	n06287cb	-	+	-	-	-	+	+	Ref IL-CB-592c Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
40	16:58:27	20241119-1555-B400_B.14-40	10	H1_Quant_D1_25s_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-592c Group Larrosa_I
39	16:52:22	20241119-1636-B400_B.14-39	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-135-1a Group Procter_D
38	16:47:19	20241119-1554-B400_B.14-38	11	F19_Quant_D1_8s_Day	n06287cb	-	+	-	-	-	+	+	Ref IL-CB-591c Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
38	16:35:21	20241119-1554-B400_B.14-38	10	H1_Quant_D1_25s_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-591c Group Larrosa_I
37	16:31:15	20241119-1629-B400_B.14-37	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-098-iso Group Trowbridge_A
36	16:25:18	20241119-1618-B400_B.14-36	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB097_F3 Group Procter_D
35	16:20:27	20241119-1553-B400_B.14-35	11	F19_Quant_D1_8s_Day	n06287cb	-	+	-	-	-	+	+	Ref IL-CB-594 t=0h Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
35	16:08:44	20241119-1553-B400_B.14-35	10	H1_Quant_D1_25s_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-594 t=0h Group Larrosa_I
34	16:03:19	20241119-1552-B400_B.14-34	10	H1_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-RupcymeneClPhPyr acetone Group Larrosa_I
33	15:58:44	20241119-1551-B400_B.14-33	10	H1_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-RuPhPyr acetone Group Larrosa_I
32	15:54:17	20241119-1548-B400_B.14-32	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-262b T2 158 145OH Group Webb_S
31	15:46:28	20241119-1529-B400_B.14-31	10	H1_WaterSupp_Day	e02956op	+	+	-	+	+	+	+	Ref GDN-OP0051B-supr Group DeBo_G
24	15:42:07	20241119-1510-B400_B.14-24	10	H1_Day	f14199vs	+	+	-	+	+	+	+	Ref K241119 Br-amine Group Keerthi_A
23	15:33:11	20241119-1514-B400_B.14-23	10	H1_Day	c62220rg	+	+	-	+	x	+	+	Ref at-rg-napth fb Group Trowbridge_A	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
22	15:28:34	20241119-1513-B400_B.14-22	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-34c1 Group Trowbridge_A
21	15:23:58	20241119-1513-B400_B.14-21	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-45 Group Trowbridge_A
20	15:19:29	20241119-1507-B400_B.14-20	10	H1_Day	g51050xx	+	+	-	+	+	+	+	Ref xxt-10-3 Group Gardiner_J
19	15:14:34	20241119-1506-B400_B.14-19	10	H1_Day	g51050xx	+	+	-	+	+	+	+	Ref xxt-10-2 Group Gardiner_J
18	15:08:51	20241119-1459-B400_B.14-18	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 B with e- 60C overnight Group Mehta_M
17	15:01:57	20241119-1459-B400_B.14-17	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 A with e- 60C overnight Group Mehta_M
55	14:53:02	20241118-1822-B400_B.14-54	10	H1_COSY_Day	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 2 char Group Larrosa_I
47	14:48:42	20241119-1347-B400_B.14-47	10	H1_Night	w52164bc	+	+	-	+	+	+	+	Ref BC-01-597 Group James_M
58	14:13:43	20241118-1825-B400_B.14-58	11	H1_COSY_Day	r64579jc	+	+	-	+	+	+	+	Ref 50 crude char Group Larrosa_I
60	14:09:00	20241119-1109-B400_B.14-60	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref Bn2NH Group Greaney_M
59	14:04:28	20241119-1109-B400_B.14-59	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241118-9c Group Greaney_M
57	14:00:07	20241119-1238-B400_B.14-57	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241118-8c Group Greaney_M
56	13:55:38	20241119-1225-B400_B.14-56	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241118-7c Group Greaney_M
54	13:50:38	20241119-1224-B400_B.14-54	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241118-6c Group Greaney_M
53	13:33:05	20241118-1822-B400_B.14-53	13	C13_CPD_Night256	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 1 char Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	13:28:48	20241119-1320-B400_B.14-45	10	H1_Day	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-04 WASH Group DeBo_G
43	13:24:03	20241119-1322-B400_B.14-43	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB188 Group Crisenza_G
42	13:17:44	20241119-1300-B400_B.14-42	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK047 in DMSO Group Gibson_M JK047 in DMSO
42	13:13:28	20241119-1300-B400_B.14-42	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK047 in DMSO Group Gibson_M JK047 in DMSO
58	12:55:44	20241118-1825-B400_B.14-58	10	C13_CPD_Night256	r64579jc	+	+	-	+	+	+	+	Ref 50 crude char Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43	12:50:06	20241119-1247-B400_B.14-43	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0051B Group DeBo_G
57	12:45:47	20241119-1238-B400_B.14-57	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-124 f26-35 Group James_M
56	12:42:18	20241119-1225-B400_B.14-56	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC64 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/20241119-1225-B400_B.14-56/10/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/20241119-1225-B400_B.14-56/10/pdata/1/peaks!
54	12:36:55	20241119-1224-B400_B.14-54	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-466-crude Group Procter_D
53	12:21:15	20241118-1822-B400_B.14-53	12	H1_C13_HSQC_US_Night	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 1 char Group Larrosa_I
16	12:16:43	20241119-1213-B400_B.14-16	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-099-iso Group Trowbridge_A
15	12:12:11	20241119-1205-B400_B.14-15	10	H1_Day	v61651mp	+	+	-	+	+	+	+	Ref PC_Chloroform Group Shaver_M
14	12:06:16	20241119-1202-B400_B.14-14	10	H1_Day	v61651mp	+	+	-	+	+	+	+	Ref ABS_Chloroform Group Shaver_M
53	12:01:16	20241118-1822-B400_B.14-53	11	H1_Night	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 1 char Group Larrosa_I
12	11:56:26	20241119-1145-B400_B.14-12	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-262b T1 124 145OH Group Webb_S	lock: No status change after 'LOCK on'. -> aborted!
11	11:54:36	20241119-1145-B400_B.14-11	11	F19_NoCPD_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-273bm 124Au Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0
11	11:48:36	20241119-1145-B400_B.14-11	10	F19_CPD_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-273bm 124Au Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0
10	11:44:12	20241119-1133-B400_B.14-10	10	H1_Day	b78349dw	+	+	-	+	x	+	+	Ref DW02_004C_filtered Group Willcox_D	topshim: TopshimFieldMap - signal-to-noise is too low: signal loss for long echo time, Shim failed
9	11:39:56	20241119-1133-B400_B.14-9	10	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_004B_filtered Group Willcox_D
8	11:35:30	20241119-1132-B400_B.14-8	10	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_004A_filtered Group Willcox_D
60	11:31:25	20241119-1109-B400_B.14-60	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-078-B Group Procter_D
59	11:27:11	20241119-1109-B400_B.14-59	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-078-A Group Procter_D
57	11:22:40	20241119-1103-B400_B.14-56	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-119-1c-0-16C Group Procter_D
56	11:18:03	20241119-1103-B400_B.14-55	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-119-1b-16C Group Procter_D
54	11:13:05	20241119-1103-B400_B.14-54	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-119-1a-40C Group Procter_D
53	11:04:28	20241118-1822-B400_B.14-53	10	H1_COSY_Day	r64579jc	+	+	-	+	+	+	+	Ref 543 solid 1 char Group Larrosa_I
52	10:52:07	20241118-1752-B400_B.14-52	14	H1_C13_HSQC_US_Night	u36788yy	-	+	-	-	-	+	+	Ref N3Aib4-L-NH-Ala Group Simon Webb
52	10:47:33	20241118-1752-B400_B.14-52	13	H1_Night	u36788yy	+	+	-	+	+	+	+	Ref N3Aib4-L-NH-Ala Group Simon Webb
50	10:42:21	20241119-1031-B400_B.14-50	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0051A_2 Group DeBo_G
13	10:37:23	20241119-1028-B400_B.14-13	10	H1_Day	pj76780ja	+	+	-	+	+	+	+	Ref JA-03C Group Procter_D
12	10:22:26	20241119-1011-B400_B.14-12	11	C13_CPD_Night256	j40457bh	-	+	-	-	-	+	+	Ref bh3-43c1 Group Trowbridge_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	10:17:44	20241119-1011-B400_B.14-12	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-43c1 Group Trowbridge_A
11	10:14:14	20241119-1000-B400_B.14-11	10	H1_Quant_NS1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-127ctmb Group James_M
10	10:07:24	20241119-0815-B400_B.14-10	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide Oh + Amine 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
10	10:03:16	20241119-0815-B400_B.14-10	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Oh + Amine Group Larrosa_I
9	09:58:52	20241119-0815-B400_B.14-9	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Naftarydiine dimethyl Group Larrosa_I
8	09:53:59	20241119-0814-B400_B.14-8	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Alkyl Iodide Group Larrosa_I
59	09:49:34	20241118-1852-B400_B.14-59	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref zincke 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
59	09:44:10	20241118-1852-B400_B.14-59	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref zincke Group Greaney_M
44	21:32:57	20241118-1710-B400_B.14-44	12	C13_CPD_Night256	h68355ac	+	x	-	-	-	-	-	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D	ATM Failed
41	21:30:34	20241118-1706-B400_B.14-41	14	H1_COSY_HiRes_Night	w52164bc	-	-	-	-	-	-	-	Ref BC-01-595 Group James_M
41	21:16:05	20241118-1706-B400_B.14-41	13	C13_CPD_Night256	w52164bc	-	+	-	-	-	+	+	Ref BC-01-595 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41	20:57:39	20241118-1706-B400_B.14-41	12	H1_C13_HMBC_US_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-595 Group James_M
41	20:33:50	20241118-1706-B400_B.14-41	11	H1_C13_HSQCed_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-595 Group James_M	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
41	20:29:18	20241118-1706-B400_B.14-41	10	H1_Night	w52164bc	+	+	-	+	+	+	+	Ref BC-01-595 Group James_M
40	20:14:51	20241118-1705-B400_B.14-40	14	C13_CPD_Night256	w52164bc	-	+	-	-	-	+	+	Ref BC-01-584 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
40	19:51:03	20241118-1705-B400_B.14-40	13	H1_C13_HSQCed_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-584 Group James_M	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
40	19:32:18	20241118-1705-B400_B.14-40	12	H1_C13_HMBC_US_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-584 Group James_M
40	19:30:05	20241118-1705-B400_B.14-40	11	H1_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-584 Group James_M
40	19:15:10	20241118-1705-B400_B.14-40	10	H1_COSY_HiRes_Night	w52164bc	+	+	-	+	+	+	+	Ref BC-01-584 Group James_M
46	19:10:39	20241118-1631-B400_B.14-46	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t240 Group Procter_D
45	19:06:21	20241118-1631-B400_B.14-45	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t210 Group Procter_D
38	19:01:51	20241118-1627-B400_B.14-38	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t180 Group Procter_D
37	18:57:14	20241118-1627-B400_B.14-37	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t150 Group Procter_D
57	18:48:14	20241118-1825-B400_B.14-57	10	H1_COSY_Day	r64579jc	+	+	-	+	+	+	+	Ref 543 liquid Group Larrosa_I
56	18:44:06	20241118-1824-B400_B.14-56	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-091-iso-DMSO Group Trowbridge_A
54	18:41:32	20241118-1820-B400_B.14-54	11	F19_CPD_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB100_p7_19F Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
54	18:36:45	20241118-1820-B400_B.14-54	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB100_p7 Group Procter_D
52	18:20:01	20241118-1752-B400_B.14-52	12	C13_CPD_Night256	u36788yy	+	+	-	+	+	+	+	Ref N3Aib4-L-NH-Ala Group Simon Webb	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	18:15:03	20241118-1717-B400_B.14-51	11	H1_Night	m08705hz	+	+	-	+	+	+	+	Ref MAACl Group Fielding_L
52	18:08:45	20241118-1752-B400_B.14-52	11	H1_COSY_Day	u36788yy	-	+	-	-	-	+	+	Ref N3Aib4-L-NH-Ala Group Simon Webb
52	18:03:26	20241118-1752-B400_B.14-52	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref N3Aib4-L-NH-Ala Group Simon Webb
51	17:57:56	20241118-1717-B400_B.14-51	10	H1_Day	m08705hz	+	+	-	+	+	+	+	Ref MAACl Group Fielding_L
50	17:45:30	20241118-1715-B400_B.14-50	10	H1_Quant_D1_25s_Day	n06287cb	+	+	-	+	+	+	+	Ref IL-CB-593c Group Larrosa_I
49	17:40:44	20241118-1714-B400_B.14-49	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze-s Group Procter_D
48	17:36:06	20241118-1714-B400_B.14-48	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze-cl Group Procter_D
44	17:29:48	20241118-1710-B400_B.14-44	11	H1_COSY_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D
44	17:25:16	20241118-1710-B400_B.14-44	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-2ipr-5me-ph-bt-ch Group Procter_D
43	17:21:18	20241118-1708-B400_B.14-43	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-141 Group Procter_D
42	17:16:07	20241118-1708-B400_B.14-42	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-140 Group Procter_D
39	17:11:57	20241118-1704-B400_B.14-39	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-600 Group James_M
36	17:07:25	20241118-1627-B400_B.14-36	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t120 Group Procter_D
35	17:02:41	20241118-1627-B400_B.14-35	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t105 Group Procter_D
34	16:58:01	20241118-1627-B400_B.14-34	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t90 Group Procter_D
33	16:53:33	20241118-1627-B400_B.14-33	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t75 Group Procter_D
29	16:49:08	20241118-1626-B400_B.14-29	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t60 Group Procter_D
28	16:44:42	20241118-1626-B400_B.14-28	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t45 Group Procter_D
27	16:40:11	20241118-1626-B400_B.14-27	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t30 Group Procter_D
23	16:35:44	20241118-1624-B400_B.14-23	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t20 Group Procter_D
22	16:31:15	20241118-1624-B400_B.14-22	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t10 Group Procter_D
21	16:26:00	20241118-1624-B400_B.14-21	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-134-t0 Group Procter_D
20	16:20:41	20241118-1619-B400_B.14-20	10	H1_Day	v01423in	+	+	-	+	+	+	+	Ref ptbuLAuDABNA Group Romanov_A ptbuLAuDABNA
19	16:15:33	20241118-1614-B400_B.14-19	10	H1_Quant_NS1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-128eTmb Group James_M
18	16:03:11	20241118-1602-B400_B.14-18	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc anisidine rota TFA Group DeBo_G
17	15:58:37	20241118-1455-B400_B.14-17	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-D Group Riddell_I
16	15:54:17	20241118-1455-B400_B.14-16	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-A Group Riddell_I
15	15:49:53	20241118-1455-B400_B.14-15	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2064-C Group Riddell_I
14	15:45:50	20241118-1538-B400_B.14-14	10	H1_Day	v61651mp	+	+	-	+	+	+	+	Ref MP-008 Group Shaver_M
13	15:41:14	20241118-1536-B400_B.14-13	10	H1_Day	v61651mp	+	+	-	+	+	+	+	Ref MP-007 Group Shaver_M
12	15:36:46	20241118-1534-B400_B.14-12	10	H1_Day	v61651mp	+	+	-	+	+	+	+	Ref BisphenolA Group Shaver_M
11	15:30:41	20241118-1455-B400_B.14-11	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2064-B Group Riddell_I
10	15:24:06	20241118-1455-B400_B.14-10	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2054-5mg Group Riddell_I
9	15:19:42	20241118-1420-B400_B.14-9	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2074 Group Riddell_I
8	15:15:20	20241118-1414-B400_B.14-8	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H10t40 Group Gibson_M
7	15:13:01	20241118-1336-B400_B.14-66	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 liq liq Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
7	15:10:06	20241118-1336-B400_B.14-66	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 liq liq Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
7	15:05:48	20241118-1336-B400_B.14-66	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 542 liq liq Group Larrosa_I
6	15:01:16	20241118-1327-B400_B.14-6	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0052-crude Group DeBo_G
5	14:57:12	20241118-1413-B400_B.14-5	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-G9t40 Group Gibson_M
4	14:52:57	20241118-1413-B400_B.14-4	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-F8t40 Group Gibson_M
3	14:48:42	20241118-1413-B400_B.14-3	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-E7t40 Group Gibson_M
2	14:46:22	20241118-1336-B400_B.14-62	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 sol2 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	14:43:24	20241118-1336-B400_B.14-62	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 sol2 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2	14:37:26	20241118-1336-B400_B.14-62	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 542 sol2 Group Larrosa_I
1	14:35:00	20241118-1336-B400_B.14-61	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 sol1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	14:32:11	20241118-1336-B400_B.14-61	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 sol1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241118-1336-B400_B.14-61/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241118-1336-B400_B.14-61/11/pdata/1/peaks!
1	14:25:44	20241118-1336-B400_B.14-61	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 542 sol1 Group Larrosa_I
60	14:22:49	20241118-1336-B400_B.14-60	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 550 crude Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
60	14:18:16	20241118-1336-B400_B.14-60	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 550 crude Group Larrosa_I
59	14:15:46	20241118-1335-B400_B.14-59	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref unknwon yellow ppt 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
59	14:10:56	20241118-1335-B400_B.14-59	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref unknwon yellow ppt Group Greaney_M
58	14:06:10	20241118-1316-B400_B.14-58	10	H1_Day	g51050xx	+	+	-	+	+	+	+	Ref xxt-10-tca Group Gardiner_J
57	14:03:47	20241118-1334-B400_B.14-57	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref zincke black ppt 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
57	13:59:13	20241118-1334-B400_B.14-57	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref zincke black ppt Group Greaney_M
56	13:55:00	20241117-1130-B400_B.14-56	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-D6t40 Group Gibson_M
55	13:50:55	20241117-1633-B400_B.14-11	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-C5t40 Group Gibson_M
54	13:46:20	20241116-2157-B400_B.14-54	13	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-B4t40 Group Gibson_M
53	13:34:49	20241118-1148-B400_B.14-53	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1227 heatin 70 C 3 h Group Larrosa_I
53	13:31:23	20241118-1148-B400_B.14-53	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	-	+	+	Ref NP-1227 heatin 70 C 3 h 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/u50028ip/nmr/20241118-1148-B400_B.14-53/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241118-1148-B400_B.14-53/10/pdata/1/peaks!
52	13:26:36	20241118-1148-B400_B.14-52	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1223 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
52	13:22:34	20241118-1148-B400_B.14-52	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1223 Group Larrosa_I
51	13:17:40	20241118-1148-B400_B.14-51	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1218 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	13:13:48	20241118-1148-B400_B.14-51	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1218 Group Larrosa_I
47	13:09:35	20241116-1856-B400_B.14-47	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-A3t40 Group Gibson_M
46	13:05:23	20241116-1839-B400_B.14-46	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-C6t0 Group Gibson_M
45	13:00:46	20241116-1839-B400_B.14-45	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H5t0 Group Gibson_M
44	12:55:39	20241118-1147-B400_B.14-44	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1221 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
44	12:51:24	20241118-1147-B400_B.14-44	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1221 Group Larrosa_I
43	12:45:58	20241118-1147-B400_B.14-43	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1220 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
43	12:41:28	20241118-1147-B400_B.14-43	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1220 Group Larrosa_I
42	12:36:36	20241118-1147-B400_B.14-42	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1219 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	12:32:21	20241118-1147-B400_B.14-42	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1219 Group Larrosa_I
41	12:27:39	20241118-1102-B400_B.14-41	10	H1_Day	pj76780ja	+	+	-	+	+	+	+	Ref JA-03C Group Procter_D
40	12:24:12	20241118-1059-B400_B.14-40	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref PrN"3+NBO Group Liddle_S
39	12:20:36	20241118-1059-B400_B.14-39	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref CeN"3+NBO Group Liddle_S
38	12:16:24	20241118-1058-B400_B.14-38	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref LaN"3+NBO Group Liddle_S
37	12:14:26	20241118-1056-B400_B.14-37	11	F19_NoCPD_Day	w52164bc	-	+	-	-	-	+	+	Ref BC-01-600 crude Group James_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
37	12:10:18	20241118-1056-B400_B.14-37	10	H1_Day	w52164bc	+	+	-	+	x	+	+	Ref BC-01-600 crude Group James_M	topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed
36	12:05:57	20241116-1855-B400_B.14-36	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-E10t0 Group Gibson_M
35	12:01:45	20241116-1854-B400_B.14-35	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-F4t0 Group Gibson_M
34	11:57:29	20241116-1851-B400_B.14-34	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-B5t0 Group Gibson_M
33	11:52:56	20241118-1141-B400_B.14-33	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1673 Group Procter_D
32	11:47:55	20241118-1141-B400_B.14-32	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1674 Group Procter_D
31	11:43:16	20241116-1834-B400_B.14-31	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg019cp Group Crisenza_G
30	11:39:11	20241117-2225-B400_B.14-30	13	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H3t0 Group Gibson_M
29	11:34:53	20241117-1931-B400_B.14-29	15	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H10t0 Group Gibson_M
28	11:30:45	20241117-1930-B400_B.14-28	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-G9t0 Group Gibson_M
27	11:26:21	20241118-1024-B400_B.14-27	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-376 Group Greaney_M
26	11:22:23	20241118-1023-B400_B.14-26	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-139 Group Procter_D
25	11:17:25	20241118-1023-B400_B.14-25	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-138 Group Procter_D
24	11:12:29	20241118-1023-B400_B.14-24	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-137 Group Procter_D
23	11:07:36	20241118-1023-B400_B.14-23	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-136 Group Procter_D
22	11:03:17	20241118-1019-B400_B.14-22	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh sm deg 10.8mg/5.2ul tce Group Trowbridge_A
21	10:57:59	20241118-1004-B400_B.14-21	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref SE110 Group Crisenza_G
20	10:53:16	20241118-0957-B400_B.14-20	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM538 Group Willcox_D
19	10:48:49	20241118-0957-B400_B.14-19	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM539 Group Willcox_D
18	10:43:45	20241118-0957-B400_B.14-18	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM540 Group Willcox_D
17	10:38:48	20241118-0946-B400_B.14-17	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref GC-MOTOR-021-PEG12-CD3CN+D2O Group Leigh_D
16	10:34:29	20241118-0946-B400_B.14-16	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref GC-MOTOR-021-PEG12-Fueled-d2o Group Leigh_D
15	10:30:12	20241118-0933-B400_B.14-15	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-097D Group Trowbridge_A
14	10:25:51	20241118-0933-B400_B.14-14	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-097C Group Trowbridge_A
13	10:21:20	20241118-0932-B400_B.14-13	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB18201 Group Crisenza_G
12	10:16:23	20241118-0932-B400_B.14-12	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB18101 Group Crisenza_G
11	10:11:38	20241118-0929-B400_B.14-11	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-380C Group Procter_D
10	10:07:29	20241118-0919-B400_B.14-10	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Dppen Squaramide OME Group Larrosa_I
9	10:02:01	20241118-0929-B400_B.14-9	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-379C Group Procter_D
8	09:56:32	20241117-1544-B400_B.14-8	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg018f20 Group Crisenza_G
7	09:51:16	20241117-1543-B400_B.14-7	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg018f14-15 Group Crisenza_G
5	09:45:19	20241118-0919-B400_B.14-5	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Dppen Urea 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	09:40:45	20241118-0919-B400_B.14-5	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Dppen Urea Group Larrosa_I
4	09:35:53	20241118-0918-B400_B.14-4	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide salt OME CF3 aniline NH2 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
4	09:31:33	20241118-0918-B400_B.14-4	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide salt OME CF3 aniline NH2 Group Larrosa_I
3	09:26:28	20241118-0918-B400_B.14-3	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide salt B 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
3	09:22:11	20241118-0918-B400_B.14-3	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide salt B Group Larrosa_I
2	09:17:51	20241118-0917-B400_B.14-2	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB098_rep Group Procter_D
10	09:03:48	20241118-0903-B400_B.14-10	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref cr-D Group Procter_D
9	07:22:42	20241118-0718-B400_B.14-9	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1287 overnight room temp Group Larrosa_I
9	07:19:24	20241118-0718-B400_B.14-9	10	H1_Day	u50028ip	+	+	-	+	-	+	+	Ref NP-1287 overnight room temp 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/u50028ip/nmr/20241118-0718-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/u50028ip/nmr/20241118-0718-B400_B.14-9/10/pdata/1/peaks!
30	23:56:04	20241117-2225-B400_B.14-30	12	C13_CPD_Night256	m09677nb	-	+	-	-	-	+	+	Ref 83 ppt Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	23:48:49	20241117-2225-B400_B.14-30	11	F19_CPD_Night	m09677nb	-	+	-	-	-	+	+	Ref 83 ppt 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
30	23:43:39	20241117-2225-B400_B.14-30	10	H1_Night	m09677nb	+	+	-	+	+	+	+	Ref 83 ppt Group Greaney_M
26	23:35:10	20241117-2219-B400_B.14-26	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-135 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	23:20:44	20241117-2219-B400_B.14-26	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-135 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	23:16:28	20241117-2219-B400_B.14-26	10	H1_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-135 Group Procter_D
25	23:01:20	20241117-2128-B400_B.14-25	10	H1_Night128	d53465xy	+	+	-	+	+	+	+	Ref XY412-4 Group DeBo_G column
29	22:49:27	20241117-1931-B400_B.14-29	14	H1_COSY_HiRes_Night	d19599wm	-	+	-	-	-	+	+	Ref SJW WM319 CDCl3 Group Webb_S
29	22:34:34	20241117-1931-B400_B.14-29	13	C13_CPD_Night256	d19599wm	-	+	-	-	-	+	+	Ref SJW WM319 CDCl3 Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	22:32:29	20241117-1931-B400_B.14-29	12	F19_NoCPD_Day	d19599wm	-	+	-	-	-	+	+	Ref SJW WM319 CDCl3 Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
29	22:29:55	20241117-1931-B400_B.14-29	11	P31_CPD_Day	d19599wm	-	+	-	-	-	+	+	Ref SJW WM319 CDCl3 Group Webb_S	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
29	22:24:40	20241117-1931-B400_B.14-29	10	H1_Night	d19599wm	+	+	-	+	+	+	+	Ref SJW WM319 CDCl3 Group Webb_S
28	22:19:42	20241117-1930-B400_B.14-28	10	H1_Night	d19599wm	+	+	-	+	+	+	+	Ref SJW WM319 Au(SMe2)Cl CDCl3 Group Webb_S
24	22:05:01	20241117-1822-B400_B.14-24	11	C13_CPD_Night256	z65435tw	-	+	-	-	-	+	+	Ref tw-781-p-nmr-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24	22:00:28	20241117-1822-B400_B.14-24	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-781-p-nmr-1h-cdcl3 Group Crisenza_G
23	21:56:05	20241117-1758-B400_B.14-23	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc anisidine Group DeBo_G
27	21:51:38	20241117-1708-B400_B.14-27	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-097B Group Trowbridge_A
26	21:47:09	20241117-1708-B400_B.14-26	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-097A Group Trowbridge_A
22	21:42:32	20241117-1708-B400_B.14-22	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-096 Group Trowbridge_A
21	21:37:34	20241117-1708-B400_B.14-21	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-095 Group Trowbridge_A
20	21:33:05	20241117-1708-B400_B.14-20	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-094 Group Trowbridge_A
19	21:26:58	20241117-1639-B400_B.14-19	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 4 h -1.1 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	21:20:35	20241117-1639-B400_B.14-18	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 4 h -1.0 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	21:14:28	20241117-1639-B400_B.14-17	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 4 h -0.9 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	21:08:07	20241117-1639-B400_B.14-16	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3 h -1.2 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15	21:00:57	20241117-1639-B400_B.14-15	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3 h -1.1 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	20:54:29	20241117-1639-B400_B.14-14	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3 h -1.0 V new Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	20:47:23	20241117-1639-B400_B.14-13	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3 h -1.0 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	20:40:58	20241117-1639-B400_B.14-12	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3 h -0.9 V new Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	20:33:04	20241117-1639-B400_B.14-11	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref 3 h -0.8 V Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	20:21:16	20241117-1633-B400_B.14-10	11	H1_COSY_HiRes_Night	d14195za	-	+	-	-	-	+	+	Ref ZA-185 UNKNO Group Gardiner_J
10	20:16:42	20241117-1633-B400_B.14-10	10	H1_Day	d14195za	+	+	-	+	+	+	+	Ref ZA-185 UNKNO Group Gardiner_J
9	19:58:17	20241117-1544-B400_B.14-9	14	H1_C13_HMBC_US_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
9	19:34:32	20241117-1544-B400_B.14-9	13	H1_C13_HSQCed_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
9	19:32:20	20241117-1544-B400_B.14-9	12	H1_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
9	19:20:27	20241117-1544-B400_B.14-9	11	H1_COSY_HiRes_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
9	19:03:55	20241117-1544-B400_B.14-9	10	C13_CPD_Night256	w52164bc	+	+	-	+	+	+	+	Ref BC-01-597 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8	18:59:57	20241117-1544-B400_B.14-8	10	H1_Night	w52164bc	+	+	-	+	+	+	+	Ref BC-01-598 P2 Group James_M
7	18:55:53	20241117-1543-B400_B.14-7	10	H1_Night	w52164bc	+	+	-	+	+	+	+	Ref BC-01-598 P1 Group James_M
6	18:29:19	20241117-1524-B400_B.14-6	12	P31_CPD_Night	u67812sg	-	+	-	-	-	+	+	Ref sq-01-013-2 Group Procter_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	18:26:45	20241117-1524-B400_B.14-6	11	F19_CPD_Day	u67812sg	-	+	-	-	-	+	+	Ref sq-01-013-2 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	18:21:45	20241117-1524-B400_B.14-6	10	H1_Day	u67812sg	+	+	-	+	+	+	+	Ref sq-01-013-2 Group Procter_D
5	18:19:24	20241117-1512-B400_B.14-5	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-050 B Ru+BINAP 31P Group Mehta_M
5	18:14:14	20241117-1512-B400_B.14-5	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-050 B Ru+BINAP 19F Group Mehta_M
4	18:11:32	20241117-1512-B400_B.14-4	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-050 A Ru+BINAP 31P Group Mehta_M
4	18:03:38	20241117-1512-B400_B.14-4	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-050 A Ru+BINAP 19F Group Mehta_M
3	17:51:45	20241117-1440-B400_B.14-3	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F49-62 Group Webb_S
3	17:40:00	20241117-1440-B400_B.14-3	12	H1_Night128	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F49-62 Group Webb_S
3	17:33:46	20241117-1440-B400_B.14-3	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F49-62 Group Webb_S
3	17:29:13	20241117-1440-B400_B.14-3	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-212-F49-62 Group Webb_S
2	15:58:53	20241117-1428-B400_B.14-2	10	H1_Night128	y37570lc	+	+	-	+	+	+	+	Ref lc533-1 MeOH E1048 Group DeBo_G
1	14:28:25	20241117-1427-B400_B.14-1	10	H1_Night128	y37570lc	+	+	-	+	+	+	+	Ref lc533-1 polymer E1048 Group DeBo_G
1	13:29:17	20241117-1228-B400_B.14-1	14	H1_COSY_HiRes_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
1	13:05:30	20241117-1228-B400_B.14-1	13	H1_C13_HSQCed_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
1	12:47:06	20241117-1228-B400_B.14-1	12	H1_C13_HMBC_US_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
1	12:44:53	20241117-1228-B400_B.14-1	11	H1_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-01-597 Group James_M
1	12:28:29	20241117-1228-B400_B.14-1	10	C13_CPD_Night256	w52164bc	+	+	-	+	+	+	+	Ref BC-01-597 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57	11:35:46	20241117-1131-B400_B.14-57	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VCneocirowash Group Procter_D
56	11:31:23	20241117-1130-B400_B.14-56	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1673 Group Procter_D
54	08:34:43	20241116-2157-B400_B.14-54	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-134-2 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	08:20:16	20241116-2157-B400_B.14-54	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-134-2 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	08:15:47	20241116-2157-B400_B.14-54	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-134-2 Group Procter_D
53	08:07:19	20241116-2157-B400_B.14-53	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-134-1 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53	07:52:54	20241116-2157-B400_B.14-53	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-134-1 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53	07:48:25	20241116-2157-B400_B.14-53	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-134-1 Group Procter_D
52	07:43:12	20241116-2149-B400_B.14-52	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250-2 F1F2 Group Webb_S
21	07:28:48	20241116-2011-B400_B.14-21	10	H1_Night128	m09677nb	+	+	-	+	x	+	+	Ref 82 acetone Group Greaney_M	topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
20	07:14:15	20241116-2011-B400_B.14-20	10	H1_Night128	m09677nb	+	+	-	+	+	+	+	Ref 82 cdecl3 Group Greaney_M
51	07:09:35	20241116-1900-B400_B.14-51	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-107-CRM Group Larrosa_I
49	07:04:42	20241116-1859-B400_B.14-49	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL_AMN-03-106-CRM Group Larrosa_I
48	07:00:31	20241116-1858-B400_B.14-48	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL_AMN-03-105-CRM Group Larrosa_I
47	06:56:10	20241116-1856-B400_B.14-47	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-104-CRM Group Larrosa_I
36	06:51:44	20241116-1855-B400_B.14-36	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-103-CRM Group Larrosa_I
35	06:47:32	20241116-1854-B400_B.14-35	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-102-CRM Group Larrosa_I
34	06:43:31	20241116-1851-B400_B.14-34	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-101-CRM Group Larrosa_I
50	06:29:05	20241116-1843-B400_B.14-50	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241115-4a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50	06:24:47	20241116-1843-B400_B.14-50	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241115-4a Group Greaney_M
46	06:10:21	20241116-1839-B400_B.14-46	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241115-3a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46	06:05:52	20241116-1839-B400_B.14-46	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241115-3a Group Greaney_M
45	05:51:27	20241116-1839-B400_B.14-45	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241115-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	05:46:44	20241116-1839-B400_B.14-45	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241115-2a Group Greaney_M
44	05:32:19	20241116-1839-B400_B.14-44	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241113-7a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44	05:27:17	20241116-1839-B400_B.14-44	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241113-7a Group Greaney_M
39	05:12:50	20241116-1838-B400_B.14-39	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241113-6a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39	05:08:04	20241116-1838-B400_B.14-39	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241113-6a Group Greaney_M
38	04:53:39	20241116-1838-B400_B.14-38	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241113-5a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38	04:48:43	20241116-1838-B400_B.14-38	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241113-5a Group Greaney_M
37	04:34:16	20241116-1838-B400_B.14-37	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241113-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37	04:29:58	20241116-1838-B400_B.14-37	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241113-2a Group Greaney_M
33	04:15:11	20241116-1835-B400_B.14-33	11	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241113-1a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33	04:10:38	20241116-1835-B400_B.14-33	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241113-1a Group Greaney_M
32	04:05:29	20241116-1835-B400_B.14-32	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241115-6c Group Greaney_M
31	04:00:58	20241116-1834-B400_B.14-31	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241115-5c Group Greaney_M
30	03:54:15	20241116-1812-B400_B.14-30	12	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref ome mono Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
30	03:10:04	20241116-1812-B400_B.14-30	11	F19_Quant_D35_Night	b72547am	-	+	-	-	-	+	+	Ref ome mono Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
30	03:05:26	20241116-1812-B400_B.14-30	10	H1_Night	b72547am	+	+	-	+	+	+	+	Ref ome mono Group Larrosa_I
25	02:56:58	20241116-1811-B400_B.14-25	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-130 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	02:42:33	20241116-1811-B400_B.14-25	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-130 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	02:37:37	20241116-1811-B400_B.14-25	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-130 Group Procter_D
23	02:25:44	20241116-1722-B400_B.14-23	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F21-30 Group Webb_S
23	02:13:58	20241116-1722-B400_B.14-23	12	H1_Night128	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F21-30 Group Webb_S
23	02:07:43	20241116-1722-B400_B.14-23	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-212-F21-30 Group Webb_S
23	02:02:55	20241116-1722-B400_B.14-23	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-212-F21-30 Group Webb_S
17	01:48:10	20241116-1700-B400_B.14-17	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-GB-1-098 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	01:43:20	20241116-1700-B400_B.14-17	10	H1_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-GB-1-098 Group Procter_D
13	01:17:05	20241116-1625-B400_B.14-13	11	P31_CPD_Night	r64579jc	-	+	-	-	-	+	+	Ref 546 2 Group Larrosa_I
13	01:09:08	20241116-1625-B400_B.14-13	10	F19_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 546 2 Group Larrosa_I
12	00:42:23	20241116-1625-B400_B.14-12	11	P31_CPD_Night	r64579jc	-	+	-	-	-	+	+	Ref 545 2 Group Larrosa_I
12	00:33:30	20241116-1625-B400_B.14-12	10	F19_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 545 2 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241116-1625-B400_B.14-12/10/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241116-1625-B400_B.14-12/10/pdata/1/peaks!
11	00:06:40	20241116-1625-B400_B.14-11	11	P31_CPD_Night	r64579jc	-	+	-	-	-	+	+	Ref 544 2 Group Larrosa_I
11	23:57:37	20241116-1625-B400_B.14-11	10	F19_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 544 2 Group Larrosa_I
43	23:52:48	20241116-1541-B400_B.14-43	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1211 Group Larrosa_I
42	23:47:58	20241116-1541-B400_B.14-42	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1207 o 9 o 5 Group Larrosa_I
41	23:43:20	20241116-1540-B400_B.14-41	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref PhPy zn phopto Group Larrosa_I
40	23:38:50	20241116-1540-B400_B.14-40	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref Amide Group Larrosa_I
29	23:33:58	20241116-1538-B400_B.14-29	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1215 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
29	23:29:47	20241116-1538-B400_B.14-29	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1215 Group Larrosa_I
28	23:25:06	20241116-1538-B400_B.14-28	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1210 Group Larrosa_I
27	23:19:55	20241116-1538-B400_B.14-27	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Lactone aniline Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27	23:15:33	20241116-1538-B400_B.14-27	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref Lactone aniline Group Larrosa_I
26	23:11:04	20241116-1538-B400_B.14-26	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1207 Group Larrosa_I
24	22:52:39	20241116-1505-B400_B.14-24	15	H1_C13_HMBC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5-br-ph-bt-ch Group Procter_D
24	22:40:19	20241116-1505-B400_B.14-24	14	H1_C13_HSQC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5-br-ph-bt-ch Group Procter_D
24	22:38:07	20241116-1505-B400_B.14-24	13	H1_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5-br-ph-bt-ch Group Procter_D
24	22:23:42	20241116-1505-B400_B.14-24	12	C13_CPD_Night256	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5-br-ph-bt-ch Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24	22:17:25	20241116-1505-B400_B.14-24	11	H1_COSY_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5-br-ph-bt-ch Group Procter_D
24	22:12:43	20241116-1505-B400_B.14-24	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-2-me-5-br-ph-bt-ch Group Procter_D
22	21:58:17	20241116-1504-B400_B.14-22	11	C13_CPD_Night256	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-3-i-ph-ta-h-c Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22	21:53:27	20241116-1504-B400_B.14-22	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-3-i-ph-ta-h-c Group Procter_D
19	21:35:03	20241116-1502-B400_B.14-19	15	H1_C13_HMBC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-4-br-ph-ta-ch Group Procter_D
19	21:22:44	20241116-1502-B400_B.14-19	14	H1_C13_HSQC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-4-br-ph-ta-ch Group Procter_D
19	21:20:31	20241116-1502-B400_B.14-19	13	H1_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-4-br-ph-ta-ch Group Procter_D
19	21:06:03	20241116-1502-B400_B.14-19	12	C13_CPD_Night256	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-4-br-ph-ta-ch Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19	20:59:46	20241116-1502-B400_B.14-19	11	H1_COSY_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-4-br-ph-ta-ch Group Procter_D
19	20:54:58	20241116-1502-B400_B.14-19	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-4-br-ph-ta-ch Group Procter_D
18	20:36:33	20241116-1501-B400_B.14-18	15	H1_C13_HMBC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5ipr-ph-bt-ch Group Procter_D
18	20:24:13	20241116-1501-B400_B.14-18	14	H1_C13_HSQC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5ipr-ph-bt-ch Group Procter_D
18	20:22:02	20241116-1501-B400_B.14-18	13	H1_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5ipr-ph-bt-ch Group Procter_D
18	20:15:48	20241116-1501-B400_B.14-18	12	H1_COSY_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5ipr-ph-bt-ch Group Procter_D
18	20:01:02	20241116-1501-B400_B.14-18	11	C13_CPD_Night256	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-2-me-5ipr-ph-bt-ch Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	19:56:10	20241116-1501-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-2-me-5ipr-ph-bt-ch Group Procter_D
10	19:52:06	20241116-1442-B400_B.14-10	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc584-1 Group DeBo_G
9	19:47:03	20241116-1423-B400_B.14-9	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-375 Group Greaney_M
21	19:42:19	20241116-1416-B400_B.14-21	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1216 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
21	19:37:52	20241116-1416-B400_B.14-21	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1216 Group Larrosa_I
20	19:33:17	20241116-1416-B400_B.14-20	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1203 Group Larrosa_I
16	19:27:36	20241116-1415-B400_B.14-16	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1214 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
16	19:23:41	20241116-1415-B400_B.14-16	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1214 Group Larrosa_I
15	19:19:03	20241116-1415-B400_B.14-15	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1207 Group Larrosa_I
14	19:15:05	20241116-1415-B400_B.14-14	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1204 Group Larrosa_I
8	19:10:49	20241116-1414-B400_B.14-8	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1212 Group Larrosa_I
7	19:06:22	20241116-1414-B400_B.14-7	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1209 Group Larrosa_I
6	19:01:15	20241116-1414-B400_B.14-6	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1205 Group Larrosa_I
5	18:45:53	20241116-1412-B400_B.14-5	10	H1_Night128	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-729-2 Group DeBo_G
4	18:31:06	20241116-1348-B400_B.14-4	11	C13_CPD_Night256	k52190db	-	+	-	-	-	+	+	Ref DB_68 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	18:25:54	20241116-1348-B400_B.14-4	10	H1_Day	k52190db	+	+	-	+	+	+	+	Ref DB_68 Group Larrosa_I
3	16:55:08	20241116-1343-B400_B.14-3	10	H1_Night128	y37570lc	+	+	-	+	+	+	+	Ref lc534-1 post sonc E1054 Group DeBo_G
2	15:24:51	20241116-1342-B400_B.14-2	11	H1_Night128	y37570lc	+	+	-	+	+	+	+	Ref lc534-1 post sonc E1053 Group DeBo_G
1	13:56:33	20241116-1342-B400_B.14-1	11	H1_Night128	y37570lc	-	+	-	-	-	+	+	Ref lc492-1 post sonc E1052 Group DeBo_G
1	13:42:40	20241116-1342-B400_B.14-1	10	H1_Night128	y37570lc	+	+	-	+	+	+	+	Ref lc492-1 post sonc E1052 Group DeBo_G
23	13:14:09	20241116-1313-B400_B.14-23	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-737-3 Group DeBo_G
22	12:59:18	20241116-1254-B400_B.14-22	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VCneociro Group Procter_D
21	12:54:47	20241116-1253-B400_B.14-21	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1672 Group Procter_D
19	00:07:46	20241115-2146-B400_B.14-19	11	F19_NoCPD_Night	m30316hz	-	+	-	-	-	+	+	Ref HZ-273b micelleKF Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0
19	23:42:49	20241115-2146-B400_B.14-19	10	F19_CPD_Night512	m30316hz	+	+	-	+	+	+	+	Ref HZ-273b micelleKF Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'H2O+D2O' SR is set to 0.0
18	23:27:41	20241115-2146-B400_B.14-18	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-250-2 F3 Group Webb_S
9	23:13:15	20241115-2012-B400_B.14-9	11	C13_CPD_Night256	u36788yy	-	+	-	-	-	+	+	Ref 2.1O-5-Si Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	23:08:00	20241115-2012-B400_B.14-9	10	H1_Night	u36788yy	+	+	-	+	+	+	+	Ref 2.1O-5-Si Group Webb_S
17	22:53:34	20241115-1911-B400_B.14-17	11	C13_CPD_Night256	a60960ax	-	+	-	-	-	+	+	Ref ax_zhbc_ttm Group Keerthi_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	22:39:07	20241115-1911-B400_B.14-17	10	H1_Night128	a60960ax	+	+	-	+	+	+	+	Ref ax_zhbc_ttm Group Keerthi_A
20	22:34:12	20241115-1909-B400_B.14-20	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-99-CRM Group Larrosa_I
16	22:29:18	20241115-1908-B400_B.14-16	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-98-CRM Group Larrosa_I
15	22:24:36	20241115-1906-B400_B.14-15	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-97-CRM Group Larrosa_I
14	22:19:50	20241115-1904-B400_B.14-14	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-95-CRM Group Larrosa_I
8	22:14:42	20241115-1903-B400_B.14-8	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-96-CRM Group Larrosa_I
5	22:09:34	20241115-1901-B400_B.14-5	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-94-CRM Group Larrosa_I
13	21:55:09	20241115-1840-B400_B.14-13	11	C13_CPD_Night256	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB housane furan_13C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	21:50:09	20241115-1840-B400_B.14-13	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB housane furan_1H Group Procter_D
12	21:35:44	20241115-1840-B400_B.14-12	11	C13_CPD_Night256	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB housane OMe_13C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	21:31:29	20241115-1840-B400_B.14-12	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB housane OMe_1H Group Procter_D
11	21:17:03	20241115-1840-B400_B.14-11	11	C13_CPD_Night256	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB housane2_13C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	21:12:46	20241115-1840-B400_B.14-11	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB housane2_1H Group Procter_D
10	20:58:20	20241115-1840-B400_B.14-10	11	C13_CPD_Night256	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB housane1_13C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	20:53:47	20241115-1840-B400_B.14-10	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB housane1_1H Group Procter_D
7	20:41:58	20241115-1838-B400_B.14-7	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-TD-3 Group Webb_S
7	20:30:13	20241115-1838-B400_B.14-7	12	H1_Night128	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-TD-3 Group Webb_S
7	20:23:56	20241115-1838-B400_B.14-7	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-TD-3 Group Webb_S
7	20:19:44	20241115-1838-B400_B.14-7	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-TD-3 Group Webb_S
6	20:07:51	20241115-1837-B400_B.14-6	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-210-F27-45 Group Webb_S
6	19:56:06	20241115-1837-B400_B.14-6	12	H1_Night128	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-210-F27-45 Group Webb_S
6	19:49:49	20241115-1837-B400_B.14-6	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-210-F27-45 Group Webb_S
6	19:45:06	20241115-1837-B400_B.14-6	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-210-F27-45 Group Webb_S
9	19:32:46	20241115-1214-B400_B.14-9	15	H1_C13_HSQC_US_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-126 Group James_M
9	19:12:14	20241115-1214-B400_B.14-9	14	H1_C13_HMBC_US_Night	a15978el	+	+	-	+	+	+	+	Ref EL-03-126 Group James_M
4	18:55:45	20241115-1829-B400_B.14-4	11	C13_CPD_Night256	a60960ax	+	+	-	+	+	+	+	Ref e-hbc_pure Group Keerthi_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	18:44:16	20241115-1515-B400_B.14-5	11	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln50-1 2.5 h Group Larrosa_I
4	18:30:08	20241115-1829-B400_B.14-4	10	H1_Night128	a60960ax	+	+	-	+	+	+	+	Ref e-hbc_pure Group Keerthi_A
20	18:24:35	20241115-1824-B400_B.14-20	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-597 Group James_M
22	18:11:58	20241115-1804-B400_B.14-22	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-093-P Group Trowbridge_A
21	18:07:03	20241115-1804-B400_B.14-21	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-091-iso Group Trowbridge_A
20	18:01:37	20241115-1801-B400_B.14-20	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-599 P1 Group James_M
19	17:46:05	20241115-1731-B400_B.14-19	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.10N3Aib4OH Group Webb_S
18	17:41:21	20241115-1731-B400_B.14-18	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref D-Ala-NH2+N3Aib4OH Group Webb_S
17	17:37:05	20241115-1731-B400_B.14-17	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref L-Ala-NH2+N3Aib4OH Group Webb_S
53	17:25:10	20241115-1650-B400_B.14-53	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc eso001-4 wre Group DeBo_G
52	17:20:41	20241115-1650-B400_B.14-52	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc eso001-4 wnahco3 Group DeBo_G
51	17:16:24	20241115-1649-B400_B.14-51	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc eso001-4 wh2o Group DeBo_G
50	17:12:00	20241115-1645-B400_B.14-50	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-132-1a Group Procter_D
49	17:07:14	20241115-1645-B400_B.14-49	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-131-1e-control Group Procter_D
48	17:03:19	20241115-1645-B400_B.14-48	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-131-1d-redo Group Procter_D
47	16:58:53	20241115-1616-B400_B.14-47	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-386 Group Procter_D
46	16:54:09	20241115-1624-B400_B.14-46	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-226a Group Greaney_M
45	16:49:39	20241115-1624-B400_B.14-45	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-225b Group Greaney_M
44	16:45:22	20241115-1624-B400_B.14-44	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-225a Group Greaney_M
43	16:40:45	20241115-1615-B400_B.14-43	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-385 Group Procter_D
42	16:36:15	20241115-1615-B400_B.14-42	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-380A Group Procter_D
41	16:31:42	20241115-1615-B400_B.14-41	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-379A Group Procter_D
40	16:27:36	20241115-1607-B400_B.14-40	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-4 heat Group Larrosa_I
39	16:23:29	20241115-1607-B400_B.14-39	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-3 heat Group Larrosa_I
38	16:19:52	20241115-1603-B400_B.14-38	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref PrN"3 Group Liddle_S
37	16:16:06	20241115-1602-B400_B.14-37	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref CeN"3 Group Liddle_S
36	16:12:18	20241115-1602-B400_B.14-36	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref LaN"3 Group Liddle_S
35	16:07:37	20241115-1547-B400_B.14-35	10	P31_CPD_Day	z86427mk	+	+	-	+	+	+	+	Ref C8H17 isomer A Group Procter_D	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
34	16:03:02	20241115-1546-B400_B.14-34	10	P31_CPD_Day	z86427mk	+	+	-	+	+	+	+	Ref 4F isomer B Group Procter_D	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
32	15:58:26	20241115-1546-B400_B.14-32	10	P31_CPD_Day	z86427mk	+	+	-	+	+	+	+	Ref cyclo isomer A Group Procter_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
31	15:53:43	20241115-1544-B400_B.14-31	10	P31_CPD_Day	z86427mk	+	+	-	+	+	+	+	Ref PPh3 isomer A Group Procter_D	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
30	15:49:04	20241115-1543-B400_B.14-30	10	P31_CPD_Day	z86427mk	+	+	-	+	+	+	+	Ref cyclo isomer B Group Procter_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5	15:19:37	20241115-1515-B400_B.14-5	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref DJP-OC-463-CRUDE Group Procter_D
4	15:02:46	20241115-1153-B400_B.14-4	11	C13_CPD_Night256	m43318ad	+	+	-	+	+	+	+	Ref AD041 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	14:57:48	20241115-1444-B400_B.14-29	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref D-Ala-NH2-N3AibOH Group Webb_S
28	14:52:02	20241115-1447-B400_B.14-28	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref L-Ala-NH2-N3Aib4OH Group Webb_S
27	14:49:48	20241115-1431-B400_B.14-27	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-049 B Ru+BINAP 60C o/n 31P Group Mehta_M
27	14:44:18	20241115-1431-B400_B.14-27	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 B Ru+BINAP 60C o/n 19F Group Mehta_M
26	14:41:54	20241115-1431-B400_B.14-26	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-049 A Ru+BINAP 60C o/n 31P Group Mehta_M
26	14:36:13	20241115-1431-B400_B.14-26	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 A Ru+BINAP 60C o/n 19F Group Mehta_M
25	14:22:01	20241115-1243-B400_B.14-25	10	H1_COSY_HiRes_Night	j92926fr	+	+	-	+	+	+	+	Ref complex filtrate Group Webb_S
9	14:13:32	20241115-1214-B400_B.14-9	13	C13_DEPT135_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-126 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	14:01:46	20241115-1214-B400_B.14-9	12	H1_COSY_HiRes_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-126 Group James_M
9	13:46:55	20241115-1214-B400_B.14-9	11	C13_CPD_Night256	a15978el	-	+	-	-	-	+	+	Ref EL-03-126 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	13:42:03	20241115-1214-B400_B.14-9	10	H1_Night	a15978el	+	+	-	+	+	+	+	Ref EL-03-126 Group James_M
25	13:37:09	20241115-1243-B400_B.14-25	11	H1_Day	j92926fr	+	+	-	+	+	+	+	Ref complex filtrate Group Webb_S
24	13:32:42	20241115-1231-B400_B.14-24	10	P31_CPD_Day	g49654cr	+	+	-	+	+	+	+	Ref isomer B Group Romanov_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	13:28:10	20241115-1229-B400_B.14-23	10	P31_CPD_Day	g49654cr	+	+	-	+	+	+	+	Ref isomer A Group Romanov_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
22	13:23:59	20241115-1223-B400_B.14-22	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-F8t0 Group Gibson_M
21	13:19:53	20241115-1223-B400_B.14-21	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-E7t0 Group Gibson_M
20	13:15:39	20241115-1223-B400_B.14-20	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-D6t0 Group Gibson_M
16	13:11:27	20241115-1223-B400_B.14-16	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-C5t0 Group Gibson_M
15	13:07:16	20241115-1223-B400_B.14-15	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-B4t0 Group Gibson_M
14	13:03:03	20241115-1223-B400_B.14-14	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-A3t0 Group Gibson_M
13	12:58:38	20241115-1219-B400_B.14-13	10	H1_Day	y41586em	+	+	-	+	+	+	+	Ref EMF-01-049-CP Group Other
11	12:54:26	20241115-1219-B400_B.14-11	10	H1_Day	y41586em	+	+	-	+	+	+	+	Ref EMF-01-048-CP Group Other
10	12:51:14	20241115-1218-B400_B.14-10	10	H1_Day	s52134ad	+	+	-	+	-	+	+	Ref AJD H74 (c) Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241115-1218-B400_B.14-10/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241115-1218-B400_B.14-10/10/pdata/1/peaks!
8	12:46:26	20241115-1203-B400_B.14-8	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide Salt Dpeeen brown Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
8	12:42:23	20241115-1203-B400_B.14-8	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Salt Dpeeen brown Group Larrosa_I
7	12:37:35	20241115-1203-B400_B.14-7	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide Salt A white Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
7	12:33:24	20241115-1203-B400_B.14-7	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Salt A white Group Larrosa_I
6	12:26:53	20241115-1203-B400_B.14-6	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide Salt OME 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
6	12:22:36	20241115-1203-B400_B.14-6	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Salt OME Group Larrosa_I
5	12:20:10	20241115-1154-B400_B.14-5	11	F19_CPD_Day	e03178pd	-	+	-	-	-	+	+	Ref IL-pdl646.F Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5	12:15:39	20241115-1154-B400_B.14-5	10	H1_Day	e03178pd	+	+	-	+	+	+	+	Ref IL-pdl646.H Group Larrosa_I
4	12:11:21	20241115-1153-B400_B.14-4	10	H1_Day	m43318ad	+	+	-	+	+	+	+	Ref AD041 Group Larrosa_I
3	12:09:07	20241115-1152-B400_B.14-3	11	F19_CPD_Day	w55864co	-	+	-	-	-	+	+	Ref COM_4.3(f) 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	12:04:51	20241115-1152-B400_B.14-3	10	H1_Quant_NS1_Day	w55864co	+	+	-	+	+	+	+	Ref COM_4.3(h) Group Larrosa_I
2	12:02:39	20241115-1149-B400_B.14-2	11	F19_CPD_Day	w55864co	-	+	-	-	-	+	+	Ref COM_4.2(F) Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2	11:57:15	20241115-1149-B400_B.14-2	10	H1_Quant_NS1_Day	w55864co	+	+	-	+	+	+	+	Ref COM_4.2(h) Group Larrosa_I
1	11:54:51	20241115-1147-B400_B.14-1	11	F19_CPD_Day	w55864co	-	+	-	-	-	+	+	Ref COM_4.1(F) Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	11:49:49	20241115-1147-B400_B.14-1	10	H1_Quant_NS1_Day	w55864co	+	+	-	+	+	+	+	Ref COM_4.1(h) Group Larrosa_I
60	11:41:30	20241115-1141-B400_B.14-60	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dthz Group Webb_S
53	11:32:20	20241115-1050-B400_B.14-53	10	P31_Extrawide_Day	g49654cr	+	+	-	+	+	+	+	Ref isomer A Group Romanov_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	11:27:36	20241115-1049-B400_B.14-52	10	P31_Extrawide_Day	g49654cr	+	+	-	+	+	+	+	Ref isomer B Group Romanov_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
51	11:22:17	20241115-1046-B400_B.14-51	10	P31_Extrawide_Day	g49654cr	+	+	-	+	+	+	+	Ref isomer A Group Romanov_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
12	11:17:35	20241115-1100-B400_B.14-12	10	H1_Day	j92926fr	+	+	-	+	+	+	+	Ref complex crude Group Webb_S
3	11:13:05	20241115-1058-B400_B.14-3	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-42d Group Trowbridge_A
59	11:08:24	20241115-1057-B400_B.14-59	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-42c Group Trowbridge_A
58	11:03:45	20241115-1057-B400_B.14-58	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-42b Group Trowbridge_A
57	10:58:49	20241115-1057-B400_B.14-57	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-42a Group Trowbridge_A
56	10:53:40	20241115-1052-B400_B.14-56	10	P31_Extrawide_Day	g49654cr	+	+	-	+	+	+	+	Ref isomer b Group Romanov_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
50	10:23:46	20241115-1005-B400_B.14-50	14	H1_Day	r64579jc	-	+	-	-	-	+	+	Ref 549 2 Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-50/14/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/r64579jc/nmr/20241115-1005-B400_B.14-50/14/pdata/1/peaks!
50	10:21:43	20241115-1005-B400_B.14-50	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 549 2 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-50/13/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-50/13/pdata/1/peaks!
50	10:19:33	20241115-1005-B400_B.14-50	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 549 2 Group Larrosa_I
50	10:16:42	20241115-1005-B400_B.14-50	11	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 549 2 Group Larrosa_I
49	10:14:40	20241115-1005-B400_B.14-49	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 548 2 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-49/13/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-49/13/pdata/1/peaks!
49	10:12:28	20241115-1005-B400_B.14-49	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 548 2 Group Larrosa_I
49	10:10:04	20241115-1005-B400_B.14-49	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 548 2 Group Larrosa_I
49	10:06:15	20241115-1005-B400_B.14-49	10	H1_Day	r64579jc	+	+	-	+	-	+	+	Ref 548 2 Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-49/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241115-1005-B400_B.14-49/10/pdata/1/peaks!
6	09:59:23	20241115-0952-B400_B.14-6	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-597 P1 Group James_M
5	09:55:30	20241115-0939-B400_B.14-5	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-5 18h Group Larrosa_I
4	09:51:31	20241115-0939-B400_B.14-4	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-4 18h Group Larrosa_I
3	09:47:31	20241115-0939-B400_B.14-3	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-3 18 h Group Larrosa_I
2	09:43:25	20241115-0938-B400_B.14-2	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-2 18h Group Larrosa_I
1	09:38:49	20241115-0938-B400_B.14-1	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln49-1 18 h Group Larrosa_I
30	09:02:49	20241115-0901-B400_B.14-30	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-I Group Riddell_I
30	06:22:40	20241114-1955-B400_B.14-30	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref -1.3 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	06:16:03	20241114-1955-B400_B.14-29	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref -1.2 pulse Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	06:09:25	20241114-1955-B400_B.14-28	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref -1.1 pulse Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27	06:03:18	20241114-1955-B400_B.14-27	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref -1.0 pulse Group Schroder_M
26	05:55:47	20241114-1955-B400_B.14-26	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref -0.9 pulse Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	05:49:30	20241114-1907-B400_B.14-49	12	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 prod oxide Group Larrosa_I
49	05:46:40	20241114-1907-B400_B.14-49	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 542 prod oxide Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
49	05:42:10	20241114-1907-B400_B.14-49	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 542 prod oxide Group Larrosa_I
48	05:34:32	20241114-1903-B400_B.14-48	11	F19_CPD_Night	u36788yy	-	+	-	-	-	+	+	Ref 1.10(2)N3Aib4OH Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
48	05:28:26	20241114-1903-B400_B.14-48	10	H1_Wide_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.10(2)N3Aib4OH Group Webb_S
47	05:14:01	20241114-1903-B400_B.14-47	11	C13_CPD_Night256	u36788yy	-	+	-	-	-	+	+	Ref unknown sub. in L-Ala-NHtBu Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47	05:08:24	20241114-1903-B400_B.14-47	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref unknown sub. in L-Ala-NHtBu Group Webb_S
46	05:02:19	20241114-1902-B400_B.14-36	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-132-1d Group Procter_D
35	04:58:08	20241114-1902-B400_B.14-35	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-132-1c Group Procter_D
34	04:53:41	20241114-1902-B400_B.14-34	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-132-1b Group Procter_D
33	04:49:02	20241114-1902-B400_B.14-33	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-132-1a Group Procter_D
53	04:36:43	20241114-1735-B400_B.14-53	12	H1_C13_HSQC_US_Night	e02956op	-	+	-	-	-	+	+	Ref GDB-OP044B-13C Group DeBo_G
53	04:34:31	20241114-1735-B400_B.14-53	11	H1_Night	e02956op	-	+	-	-	-	+	+	Ref GDB-OP044B-13C Group DeBo_G
53	04:17:03	20241114-1735-B400_B.14-53	10	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP044B-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	04:04:43	20241114-1734-B400_B.14-52	12	H1_C13_HSQC_US_Night	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0044A-13C Group DeBo_G
52	04:02:31	20241114-1734-B400_B.14-52	11	H1_Night	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0044A-13C Group DeBo_G
52	03:44:37	20241114-1734-B400_B.14-52	10	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0044A-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	03:32:17	20241114-1321-B400_B.14-13	16	H1_C13_HSQC_US_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-125 f36-44 Group James_M
13	03:13:53	20241114-1321-B400_B.14-13	15	H1_C13_HMBC_US_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-125 f36-44 Group James_M
13	03:05:25	20241114-1321-B400_B.14-13	14	C13_DEPT135_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-125 f36-44 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	02:53:31	20241114-1321-B400_B.14-13	13	H1_COSY_HiRes_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-125 f36-44 Group James_M
13	02:38:59	20241114-1321-B400_B.14-13	12	C13_CPD_Night256	a15978el	-	+	-	-	-	+	+	Ref EL-03-125 f36-44 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	02:34:29	20241114-1321-B400_B.14-13	11	H1_Night	a15978el	+	+	-	+	+	+	+	Ref EL-03-125 f36-44 Group James_M
16	02:29:48	20241114-1653-B400_B.14-16	10	H1_Night	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC358-2-F14-17 Group Greaney_M
15	02:25:11	20241114-1652-B400_B.14-15	10	H1_Night	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-358-2-F9-12 Group Greaney_M
9	02:12:52	20241114-1639-B400_B.14-9	15	H1_C13_HSQC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-3-iph-ta-ch Group Procter_D
9	01:54:28	20241114-1639-B400_B.14-9	14	H1_C13_HMBC_US_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-3-iph-ta-ch Group Procter_D
9	01:52:16	20241114-1639-B400_B.14-9	13	H1_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-3-iph-ta-ch Group Procter_D
9	01:40:21	20241114-1639-B400_B.14-9	12	H1_COSY_HiRes_Night	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-3-iph-ta-ch Group Procter_D
9	01:23:10	20241114-1639-B400_B.14-9	11	C13_CPD_Night256	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-3-iph-ta-ch Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59	01:14:43	20241114-1622-B400_B.14-59	12	C13_DEPT135_Night	e04286tn	-	+	-	-	-	+	+	Ref GDB-TNG-II-359 Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59	00:57:45	20241114-1622-B400_B.14-59	11	C13_CPD_Night256	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-II-359 Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	00:40:47	20241114-1317-B400_B.14-25	11	C13_CPD_Night256	r62071ja	+	+	-	+	+	+	+	Ref CBD-Br Group Gardiner_J	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21	00:24:31	20241114-1251-B400_B.14-21	11	C13_CPD_Night256	f92165mh	+	+	-	+	+	+	+	Ref 1113EG_RC_2h Group Hardacre_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20	00:08:14	20241114-1250-B400_B.14-20	11	C13_CPD_Night256	f92165mh	+	+	-	+	+	+	+	Ref 1113EG_FC_2h Group Hardacre_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19	23:51:58	20241114-1250-B400_B.14-19	11	C13_CPD_Night256	f92165mh	+	+	-	+	+	+	+	Ref 1113EG Group Hardacre_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	23:35:42	20241114-1249-B400_B.14-18	11	C13_CPD_Night256	f92165mh	+	+	-	+	+	+	+	Ref 1112EG_2h Group Hardacre_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	23:18:40	20241114-1248-B400_B.14-17	11	C13_CPD_Night256	f92165mh	+	+	-	+	+	+	+	Ref 1112EG Group Hardacre_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	22:54:08	20241114-1205-B400_B.14-45	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-15 Group Dryfe_R 20241113_Cys C_-2.5V_30min
44	22:30:29	20241114-1205-B400_B.14-44	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-14 Group Dryfe_R 20241113_Cys C_-2.4V_30min
43	22:05:56	20241114-1205-B400_B.14-43	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-13 Group Dryfe_R 20241113_Cys C_-2.3V_30min
42	21:42:02	20241114-1204-B400_B.14-42	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-12 Group Dryfe_R 20241113_Cys C_-2.2V_30min
41	21:18:09	20241113-1656-B400_B.14-41	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-11 Group Dryfe_R 20241113_Cys C_-2.1V_30min-2
40	20:54:02	20241113-1431-B400_B.14-40	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-10 Group Dryfe_R 20241113_Cys C_-2.1V_30min-1
39	20:30:23	20241113-1351-B400_B.14-39	13	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-9 Group Dryfe_R 20241113_Cys C_-2.0V_30min
38	20:06:00	20241113-1351-B400_B.14-38	13	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-8 Group Dryfe_R 20241113_Cys C_after -1.9V_add 7mL_0h-2
37	19:41:45	20241113-1312-B400_B.14-37	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-7 Group Dryfe_R 20241113_Cys C_-1.9V_30min
36	19:17:39	20241113-1312-B400_B.14-36	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-6 Group Dryfe_R 20241113_Cys C_-1.8V_30min
32	19:05:46	20241114-1744-B400_B.14-32	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-210 F46-66 Group Webb_S
32	18:51:36	20241114-1744-B400_B.14-32	12	H1_Night128	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-210 F46-66 Group Webb_S
47	18:47:07	20241114-1817-B400_B.14-47	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-126 f58-80 Group James_M
46	18:42:32	20241114-1816-B400_B.14-46	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-126 f32-57 Group James_M
34	18:38:14	20241114-1757-B400_B.14-34	10	H1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H75 (c) Group Larrosa_I
33	18:33:31	20241114-1745-B400_B.14-33	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-784-c-1h-cdcl3 Group Crisenza_G
32	18:27:15	20241114-1744-B400_B.14-32	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-210 F46-66 Group Webb_S
32	18:22:35	20241114-1744-B400_B.14-32	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-210 F46-66 Group Webb_S
31	18:16:37	20241114-1718-B400_B.14-31	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-048 80C 3d in oil bath Group Mehta_M
30	18:11:10	20241114-1718-B400_B.14-30	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B after py addition Group b
29	18:05:34	20241114-1718-B400_B.14-29	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A after py addition Group Mehta_M
28	18:00:52	20241114-1702-B400_B.14-28	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL_AMN-03-93-CRM Group Larrosa_I
27	17:56:11	20241114-1700-B400_B.14-27	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-02-92-CRM Group Larrosa_I
26	17:51:05	20241114-1659-B400_B.14-26	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-91-CRM Group Larrosa_I
24	17:46:33	20241114-1533-B400_B.14-24	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB17301Flush2 Group Crisenza_G
23	17:42:16	20241114-1533-B400_B.14-23	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB17301Flush1 Group Crisenza_G
22	17:37:41	20241114-1533-B400_B.14-22	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB17301Product Group Crisenza_G
14	17:32:44	20241114-1657-B400_B.14-14	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-90-CRM Group Larrosa_I
11	17:28:02	20241114-1656-B400_B.14-11	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-89-CRM Group Larrosa_I
10	17:22:53	20241114-1654-B400_B.14-10	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL_AMN-03-88-CRM Group Larrosa_I
9	17:18:11	20241114-1639-B400_B.14-9	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-3-iph-ta-ch Group Procter_D
8	17:13:16	20241114-1649-B400_B.14-8	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-87-CRM Group Larrosa_I
6	17:08:20	20241114-1650-B400_B.14-6	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL_AMN-03-86-CRM Group Larrosa_I
5	17:03:51	20241114-1634-B400_B.14-5	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-226m Group Greaney_M
4	16:59:26	20241114-1634-B400_B.14-4	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-226d Group Greaney_M
3	16:54:32	20241114-1633-B400_B.14-3	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-226c Group Greaney_M
2	16:50:03	20241114-1633-B400_B.14-2	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-226b Group Greaney_M
1	16:45:33	20241114-1625-B400_B.14-1	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-068 F42-47 Group Riddell_I
60	16:40:49	20241114-1624-B400_B.14-60	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-068 F25-34 Group Riddell_I
59	16:36:17	20241114-1622-B400_B.14-59	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-II-359 Group DeBo_G
58	16:32:00	20241114-1621-B400_B.14-58	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-355_proton Group DeBo_G
57	16:27:03	20241114-1559-B400_B.14-57	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln alkyl iodide Group Larrosa_I
56	16:22:45	20241114-1559-B400_B.14-56	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln prod Group Larrosa_I
55	16:18:03	20241114-1559-B400_B.14-55	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln epoxide Group Larrosa_I
54	16:13:39	20241114-1552-B400_B.14-54	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-40c Group Trowbridge_A
53	16:08:11	20241114-1541-B400_B.14-53	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B w/ HCl 60C 1h Group Mehta_M
52	15:48:57	20241114-1541-B400_B.14-52	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A w/ HCl 60C 1h Group Mehta_M
51	15:44:27	20241114-1520-B400_B.14-51	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-784-c-1h-cdcl3 Group Crisenza_G
50	15:39:45	20241114-1520-B400_B.14-50	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-776-c-1h-cdcl3 Group Crisenza_G
49	15:34:40	20241114-1522-B400_B.14-49	10	H1_Day	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-UREA Group Leigh_D
16	15:17:50	20241114-1247-B400_B.14-16	11	C13_CPD_Night256	f92165mh	+	+	-	+	+	+	+	Ref IS in KOH Group Hardacre_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	15:13:15	20241114-1502-B400_B.14-49	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-371-(b)-2 Group Greaney_M
48	15:08:36	20241114-1502-B400_B.14-48	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-373 Group Greaney_M
47	15:05:41	20241114-1456-B400_B.14-47	11	F19_CPD_Day	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-915 recryst Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
47	15:01:12	20241114-1456-B400_B.14-47	10	H1_Day	d47555aa	+	+	-	+	+	+	+	Ref DJP-ASA-915 recryst Group Procter_D
46	14:56:27	20241114-1448-B400_B.14-46	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM537 Group Willcox_D
35	14:50:08	20241114-1428-B400_B.14-35	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-215-C Group Webb_S
35	14:45:10	20241114-1428-B400_B.14-35	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-215-C Group Webb_S
34	14:40:27	20241114-1425-B400_B.14-34	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-736-1-prep Group DeBo_G
33	14:23:17	20241114-1344-B400_B.14-33	11	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0049-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34	14:18:24	20241114-1414-B400_B.14-34	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref DJP-OC-462-CRUDE Group Procter_D
33	14:13:53	20241114-1344-B400_B.14-33	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0049-1H Group DeBo_G
25	14:09:21	20241114-1317-B400_B.14-25	10	H1_Day	r62071ja	+	+	-	+	+	+	+	Ref CBD-Br Group Gardiner_J
22	14:04:33	20241114-1350-B400_B.14-22	10	H1_Day	w43932ra	+	+	-	+	+	+	+	Ref RA02 Group Gardiner_J
21	14:00:18	20241114-1251-B400_B.14-21	10	H1_Day	f92165mh	+	+	-	+	+	+	+	Ref 1113EG_RC_2h Group Hardacre_C
20	13:55:55	20241114-1250-B400_B.14-20	10	H1_Day	f92165mh	+	+	-	+	+	+	+	Ref 1113EG_FC_2h Group Hardacre_C
19	13:51:43	20241114-1250-B400_B.14-19	10	H1_Day	f92165mh	+	+	-	+	+	+	+	Ref 1113EG Group Hardacre_C
18	13:47:35	20241114-1249-B400_B.14-18	10	H1_Day	f92165mh	+	+	-	+	+	+	+	Ref 1112EG_2h Group Hardacre_C
17	13:43:13	20241114-1248-B400_B.14-17	10	H1_Day	f92165mh	+	+	-	+	+	+	+	Ref 1112EG Group Hardacre_C
16	13:38:56	20241114-1247-B400_B.14-16	10	H1_Day	f92165mh	+	+	-	+	+	+	+	Ref IS in KOH Group Hardacre_C
15	13:34:27	20241114-1329-B400_B.14-15	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg016f1-4 Group Crisenza_G
14	13:29:57	20241114-1321-B400_B.14-14	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-125 f46-48 Group James_M
13	13:25:25	20241114-1321-B400_B.14-13	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-125 f36-44 Group James_M
12	13:20:55	20241114-1304-B400_B.14-12	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-225 Group Greaney_M
11	13:16:10	20241114-1304-B400_B.14-11	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-224 Group Greaney_M
10	13:12:54	20241114-1225-B400_B.14-10	10	P31_Wide_Day	r64579jc	+	+	-	+	-	+	+	Ref 545 1 Group Larrosa_I
9	13:10:38	20241114-1223-B400_B.14-9	13	H1_Day	r64579jc	-	+	-	-	-	+	+	Ref 549 1 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/r64579jc/nmr/20241114-1223-B400_B.14-9/13/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/r64579jc/nmr/20241114-1223-B400_B.14-9/13/pdata/1/peaks!
9	13:08:32	20241114-1223-B400_B.14-9	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 549 1 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241114-1223-B400_B.14-9/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241114-1223-B400_B.14-9/12/pdata/1/peaks!
9	13:06:18	20241114-1223-B400_B.14-9	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 549 1 Group Larrosa_I
9	13:03:25	20241114-1223-B400_B.14-9	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 549 1 Group Larrosa_I
8	13:01:08	20241114-1223-B400_B.14-8	13	H1_Day	r64579jc	-	+	-	-	-	+	+	Ref 548 1 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/r64579jc/nmr/20241114-1223-B400_B.14-8/13/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/r64579jc/nmr/20241114-1223-B400_B.14-8/13/pdata/1/peaks!
8	12:59:05	20241114-1223-B400_B.14-8	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 548 1 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241114-1223-B400_B.14-8/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241114-1223-B400_B.14-8/12/pdata/1/peaks!
8	12:56:55	20241114-1223-B400_B.14-8	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 548 1 Group Larrosa_I
8	12:53:30	20241114-1223-B400_B.14-8	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 548 1 Group Larrosa_I
6	12:48:49	20241114-1236-B400_B.14-6	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-40e Group Trowbridge_A
5	12:43:54	20241114-1236-B400_B.14-5	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-40a Group Trowbridge_A
4	12:41:34	20241114-1220-B400_B.14-4	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 546 1 Group Larrosa_I
4	12:38:37	20241114-1220-B400_B.14-4	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 546 1 Group Larrosa_I
3	12:35:33	20241114-1220-B400_B.14-3	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 544 1 Group Larrosa_I
3	12:31:00	20241114-1220-B400_B.14-3	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 544 1 Group Larrosa_I
2	12:28:16	20241114-1219-B400_B.14-2	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 547 1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
2	12:23:13	20241114-1219-B400_B.14-2	10	H1_Day	r64579jc	+	+	-	+	x	+	+	Ref 547 1 Group Larrosa_I	topshim: TopshimFieldMap - signal-to-noise is too low, Shim failed
1	12:19:06	20241114-1218-B400_B.14-1	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref GC-SM-001-1411 Group Leigh_D
14	12:13:44	20241114-1212-B400_B.14-14	10	P31_CPD_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 BINAP in dioxane Group Mehta_M
13	12:07:27	20241114-1150-B400_B.14-13	10	P31_CPD_Day	b26045ab	+	+	-	+	+	+	+	Ref Isomet B 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
12	12:02:47	20241114-1141-B400_B.14-12	10	P31_CPD_Day	b26045ab	+	+	-	+	+	+	+	Ref YJC 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
11	11:58:05	20241114-1139-B400_B.14-11	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-071-B2 Group Procter_D
10	11:55:03	20241114-1138-B400_B.14-10	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref NdN"3 Group Liddle_S
9	11:52:56	20241114-1135-B400_B.14-9	11	H1_Quant_NS1_Day	r95653cr	-	+	-	-	-	+	+	Ref CRC_1H_quant Group Procter_D
9	11:48:26	20241114-1135-B400_B.14-9	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref CRC_1H Group Procter_D
8	11:46:19	20241114-1135-B400_B.14-8	11	H1_Quant_NS1_Day	r95653cr	-	+	-	-	-	+	+	Ref CRA_1H_quant Group Procter_D
8	11:41:50	20241114-1135-B400_B.14-8	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref CRA_1H Group Procter_D
7	11:37:22	20241114-1131-B400_B.14-7	10	P31_CPD_Day	b26045ab	+	+	-	+	+	+	+	Ref LC Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	11:32:32	20241114-1129-B400_B.14-6	10	P31_CPD_Day	b26045ab	+	+	-	+	+	+	+	Ref EUc isomer A Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5	11:26:37	20241114-1120-B400_B.14-5	20	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-075-A Group Procter_D
5	11:20:22	20241114-1120-B400_B.14-5	10	H1_Day	z86427mk	-	-	-	-	-	-	-	Ref MK-075-A Group Procter_D	Automation was stopped by user
60	11:10:02	20241114-0929-B400_B.14-60	10	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_004_16h_50C Group Willcox_D
56	11:04:31	20241114-1103-B400_B.14-56	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 80C o/n Group Mehta_M
50	11:00:20	20241113-1503-B400_B.14-50	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H11t40 Group Gibson_M
49	10:55:52	20241113-1501-B400_B.14-49	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G11t40 Group Gibson_M
48	10:50:19	20241114-1036-B400_B.14-48	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 B with NH4Cl check Group Mehta_M
47	10:44:46	20241114-1035-B400_B.14-47	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 A with NH4Cl check Group Mehta_M
44	10:40:36	20241113-1810-B400_B.14-44	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D12t40 Group Gibson_M
43	10:36:11	20241113-1725-B400_B.14-43	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C12t40 Group Gibson_M
33	10:31:28	20241114-1020-B400_B.14-33	10	H1_Day	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-03 DRY Group DeBo_G
32	10:27:25	20241113-1655-B400_B.14-32	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B12t40 Group Gibson_M
31	10:23:00	20241113-1655-B400_B.14-31	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A12t40 Group Gibson_M
30	10:18:37	20241113-1756-B400_B.14-30	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H6DMSO Group Gibson_M
28	10:14:11	20241114-0945-B400_B.14-28	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-40d Group Trowbridge_A
27	10:09:26	20241114-0958-B400_B.14-27	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB4CzIPNFC Group Crisenza_G
26	10:04:57	20241114-0958-B400_B.14-26	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB4CzIPNFB Group Crisenza_G
25	10:00:17	20241114-0957-B400_B.14-25	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB4CzIPNFA Group Crisenza_G
24	09:55:54	20241114-0945-B400_B.14-24	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-40b Group Trowbridge_A
23	09:51:44	20241114-0945-B400_B.14-23	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-38b Group Trowbridge_A
22	09:47:16	20241114-0944-B400_B.14-22	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-38a Group Trowbridge_A
21	09:42:47	20241114-0932-B400_B.14-21	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1661 Group Procter_D
20	09:38:17	20241114-0932-B400_B.14-20	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1671_40g Group Procter_D
19	09:33:37	20241114-0931-B400_B.14-19	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1670 Group Procter_D
18	09:28:39	20241114-0927-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-461-crude Group Procter_D
60	08:11:17	20241114-0756-B400_B.14-60	10	H1_Day	b78349dw	-	-	-	-	-	-	-	Ref DW02_004_16h_50C Group Willcox_D
59	08:02:24	20241114-0756-B400_B.14-59	10	H1_Day	b78349dw	+	+	-	+	x	+	+	Ref DW02_004B_18h_50C Group Willcox_D	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
58	07:57:10	20241114-0756-B400_B.14-58	10	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_004A_18h_50C Group Willcox_D	lock: No status change after 'LOCK on'. -> aborted!
55	07:38:31	20241113-1908-B400_B.14-55	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-049 B Ru+BINAP 40C 1h 31F Group Mehta_M
55	07:33:02	20241113-1908-B400_B.14-55	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 B Ru+BINAP 40C 1h 19F Group Mehta_M
54	07:30:38	20241113-1908-B400_B.14-54	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-049 A Ru+BINAP 40C 1h 31P Group Mehta_M
54	07:24:51	20241113-1908-B400_B.14-54	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-049 A Ru+BINAP 40C 1h 19F Group Mehta_M
15	07:01:13	20241113-1607-B400_B.14-15	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-5 Group Dryfe_R 20241113_Cys C_-1.7V_30min
14	06:37:31	20241113-1603-B400_B.14-14	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-4 Group Dryfe_R 20241113_Cys C_-1.6V_30min
13	06:13:40	20241113-1603-B400_B.14-13	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-3 Group Dryfe_R 20241113_Cys C_-1.5V_30min
12	05:49:45	20241113-1603-B400_B.14-12	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-2 Group Dryfe_R 20241113_Cys C_-1.4V_30min
11	05:25:37	20241112-1336-B400_B.14-11	11	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref rd-ck-1 Group Dryfe_R 20241113_Cys C_0h-1
33	05:04:31	20241113-1801-B400_B.14-33	15	H1_C13_HMBC_US_Night	u36788yy	+	+	-	+	+	+	+	Ref L-Ala-NHtBu Group Webb_S
52	04:40:44	20241113-1703-B400_B.14-52	14	H1_C13_HSQCed_Night	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ294_C Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
52	04:22:19	20241113-1703-B400_B.14-52	13	H1_C13_HMBC_US_Night	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ294_C Group Procter_D
52	04:10:26	20241113-1703-B400_B.14-52	12	H1_COSY_HiRes_Night	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ294_C Group Procter_D
52	03:55:59	20241113-1703-B400_B.14-52	11	C13_CPD_Night256	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ294_C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	03:51:28	20241113-1703-B400_B.14-52	10	H1_Night	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ294_C Group Procter_D
51	03:27:43	20241113-1702-B400_B.14-51	14	H1_C13_HSQCed_Night	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ293_C Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
51	03:09:19	20241113-1702-B400_B.14-51	13	H1_C13_HMBC_US_Night	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ293_C Group Procter_D
51	02:57:25	20241113-1702-B400_B.14-51	12	H1_COSY_HiRes_Night	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ293_C Group Procter_D
51	02:42:33	20241113-1702-B400_B.14-51	11	C13_CPD_Night256	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ293_C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	02:37:19	20241113-1702-B400_B.14-51	10	H1_Night	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ293_C Group Procter_D
28	02:13:28	20241113-1651-B400_B.14-28	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_12 Group Dryfe_R b7p4 pulsed -2.4v 8s -0.3v 2s_3rd trial
27	01:49:10	20241113-1651-B400_B.14-27	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_11 Group Dryfe_R b7p4 0hr _3rd trial
26	01:25:09	20241113-1651-B400_B.14-26	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_10 Group Dryfe_R b7p4 pulsed -2.4v 8s -0.3v 2s 1hr_2nd trial
25	01:01:23	20241113-1651-B400_B.14-25	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_9 Group Dryfe_R b7p4 0hr_2nd trial
24	00:37:44	20241113-1651-B400_B.14-24	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_8 Group Dryfe_R b7p4 pulsed -2.4v 8s -0.3v 2s_1st trial
23	00:08:54	20241113-1651-B400_B.14-23	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	x	+	+	Ref rd_ii_7 Group Dryfe_R b7p4 0hr_1st trial	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
6	23:45:12	20241113-1648-B400_B.14-5	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_6 Group Dryfe_R b7p3 pulsed -2.4v 8s -0.6v 2s
5	23:21:33	20241113-1648-B400_B.14-4	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_5 Group Dryfe_R b7p3 0hr
4	22:57:40	20241113-1550-B400_B.14-4	11	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_4 Group Dryfe_R b7p2 pulsed 1hr -2.4V 8s -0.6V 2s
3	22:34:00	20241113-1648-B400_B.14-3	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_3 Group Dryfe_R b7p2 0hr
2	22:09:50	20241113-1648-B400_B.14-2	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_2 Group Dryfe_R b7p1_1hr_-2.4v
1	21:45:48	20241113-1648-B400_B.14-1	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_1 Group Dryfe_R b7p1 0hr
21	21:31:41	20241113-1636-B400_B.14-21	11	H1_COSY_HiRes_Night	g51050xx	+	+	-	+	+	+	+	Ref xxt-10-tca Group Gardiner_J
19	21:23:17	20241113-1628-B400_B.14-19	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1393 Group Larrosa_I
18	21:13:52	20241113-1628-B400_B.14-18	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1392 Group Larrosa_I
17	21:03:00	20241113-1628-B400_B.14-17	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1391 Group Larrosa_I
16	20:53:58	20241113-1628-B400_B.14-16	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1389 Group Larrosa_I
49	20:28:13	20241113-1501-B400_B.14-49	11	P31_NoCPD_Night	k64888zx	-	+	-	-	-	+	+	Ref zx361-1%dvb Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241113-1501-B400_B.14-49/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241113-1501-B400_B.14-49/11/pdata/1/peaks!
49	19:59:51	20241113-1501-B400_B.14-49	10	P31_Wide_Night	k64888zx	+	+	-	+	+	+	+	Ref zx361-1%dvb Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
34	19:42:52	20241113-1254-B400_B.14-34	11	C13_CPD_Night256	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-nitronate 13-11 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	19:19:05	20241113-1125-B400_B.14-10	13	H1_C13_HSQCed_Night	j92926fr	-	+	-	-	-	+	+	Ref FEE 3 Group Webb_S	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
10	18:58:08	20241113-1125-B400_B.14-10	12	H1_C13_HMBC_US_Night	j92926fr	+	+	-	+	+	+	+	Ref FEE 3 Group Webb_S
33	18:45:49	20241113-1801-B400_B.14-33	14	H1_C13_HSQC_US_Night	u36788yy	-	+	-	-	-	+	+	Ref L-Ala-NHtBu Group Webb_S
33	18:43:37	20241113-1801-B400_B.14-33	13	H1_Night	u36788yy	-	+	-	-	-	+	+	Ref L-Ala-NHtBu Group Webb_S
33	18:26:45	20241113-1801-B400_B.14-33	12	C13_CPD_Night256	u36788yy	+	+	-	+	+	+	+	Ref L-Ala-NHtBu Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44	18:22:32	20241113-1810-B400_B.14-44	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref qln-6 3rd Group Leigh_D
33	18:16:16	20241113-1801-B400_B.14-33	11	H1_COSY_Day	u36788yy	-	+	-	-	-	+	+	Ref L-Ala-NHtBu Group Webb_S
33	18:11:25	20241113-1801-B400_B.14-33	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref L-Ala-NHtBu Group Webb_S
30	18:06:37	20241113-1756-B400_B.14-30	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1671_5h Group Procter_D
22	17:51:38	20241113-1636-B400_B.14-22	11	H1_COSY_HiRes_Night	g51050xx	+	+	-	+	+	+	+	Ref xxt-12-tca Group Gardiner_J
43	17:46:53	20241113-1725-B400_B.14-43	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-329-60 Group James_M
41	17:42:06	20241113-1656-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-328-4h Group James_M
32	17:37:36	20241113-1655-B400_B.14-32	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-329-10 Group James_M
31	17:33:07	20241113-1655-B400_B.14-31	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-329-20 Group James_M
30	17:28:24	20241113-1655-B400_B.14-30	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-329-30 Group James_M
22	17:23:51	20241113-1636-B400_B.14-22	10	H1_Day	g51050xx	+	+	-	+	+	+	+	Ref xxt-12-tca Group Gardiner_J
21	17:18:53	20241113-1636-B400_B.14-21	10	H1_Day	g51050xx	+	+	-	+	+	+	+	Ref xxt-10-tca Group Gardiner_J
20	17:13:13	20241113-1629-B400_B.14-20	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-048 80C 2d Group Mehta_M
15	17:08:23	20241113-1607-B400_B.14-15	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-074-A Group Procter_D
14	17:03:14	20241113-1603-B400_B.14-14	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-94ai-1 Group Procter_D
13	16:57:03	20241113-1603-B400_B.14-13	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-94ai Group Procter_D
12	16:50:52	20241113-1603-B400_B.14-12	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-94ah Group Procter_D
9	16:45:55	20241113-1608-B400_B.14-9	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-074-C Group Procter_D
8	16:40:37	20241113-1607-B400_B.14-8	10	H1_Day	z86427mk	+	+	-	+	x	+	+	Ref MK-074-B Group Procter_D	topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range, Shim failed
7	16:33:04	20241113-1603-B400_B.14-7	10	H1_Day	p10102hz	+	+	-	+	x	+	+	Ref zhb-a-94ag-1 Group Procter_D	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
6	16:26:12	20241113-1603-B400_B.14-6	10	H1_Day	p10102hz	+	+	-	+	x	+	+	Ref zhb-a-94ag Group Procter_D	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
5	16:17:16	20241113-1603-B400_B.14-5	10	H1_Day	p10102hz	+	+	-	+	x	+	+	Ref zhb-a-94af Group Procter_D	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
4	16:10:07	20241113-1550-B400_B.14-4	10	H1_Day	a17560mt	+	+	-	+	+	+	+	Ref REPW-MT011 Group Winpenny_R
3	16:05:08	20241113-1402-B400_B.14-3	10	H1_Day	v61651mp	+	+	-	+	+	+	+	Ref polycarbonate Group Shaver_M
2	15:53:52	20241113-1401-B400_B.14-2	10	H1_Quant_D1_25s_Day	v61651mp	+	+	-	+	+	+	+	Ref MP-006 Group Shaver_M
1	15:42:21	20241113-1400-B400_B.14-1	10	H1_Quant_D1_25s_Day	v61651mp	+	+	-	+	+	+	+	Ref MP-005 Group Shaver_M
53	15:37:59	20241113-1529-B400_B.14-53	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM537 Group Willcox_D
52	15:33:19	20241113-1522-B400_B.14-52	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ294_PC Group Procter_D
51	15:28:51	20241113-1521-B400_B.14-51	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ293_SP Group Procter_D
50	15:24:18	20241113-1503-B400_B.14-50	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 2-222R2 Group Larrosa_I
48	15:19:32	20241113-1439-B400_B.14-48	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-328-2h Group James_M
47	15:14:48	20241113-1439-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-328-60 Group James_M
46	15:10:23	20241112-1530-B400_B.14-46	12	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-394 Group DeBo_G
45	15:04:45	20241113-1435-B400_B.14-45	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref VJ0077-35-39 Group Leigh_D
44	15:00:07	20241113-1434-B400_B.14-44	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref VJ0076-16-21 Group Leigh_D
43	14:54:55	20241113-1432-B400_B.14-43	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref VJ0062-04-07-Re Group Leigh_D
41	14:52:31	20241113-1429-B400_B.14-41	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref 3-33 sm Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
41	14:47:32	20241113-1429-B400_B.14-41	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref 3-33 sm Group Trowbridge_A
40	14:42:24	20241113-1431-B400_B.14-40	10	H1_Day	y80232jw	+	+	-	+	+	+	+	Ref JW-147-AC2-11-12 Group Leigh_D
39	14:40:12	20241113-1351-B400_B.14-39	12	H1_Day	b72547am	-	+	-	-	-	+	+	Ref 4-16 Group Larrosa_I
39	14:38:00	20241113-1351-B400_B.14-39	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-16 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
39	14:17:05	20241113-1351-B400_B.14-39	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-16 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
38	14:14:52	20241113-1351-B400_B.14-38	12	H1_Day	b72547am	-	+	-	-	-	+	+	Ref 4-17 Group Larrosa_I
38	14:12:23	20241113-1351-B400_B.14-38	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-17 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
38	14:05:41	20241113-1351-B400_B.14-38	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-17 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
37	14:00:03	20241113-1312-B400_B.14-37	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 A 60C o/n Group Mehta_M
36	13:54:34	20241113-1312-B400_B.14-36	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B with NH4Cl 60C o/n Group Mehta_M
35	13:42:42	20241113-1312-B400_B.14-35	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A with NH4Cl 60C o/n Group Mehta_M
34	13:38:36	20241113-1254-B400_B.14-34	10	H1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-nitronate 13-11 Group James_M
32	13:36:18	20241113-1323-B400_B.14-32	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref 3-33 10-12 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
32	13:31:02	20241113-1323-B400_B.14-32	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref 3-33 10-12 Group Trowbridge_A
31	13:22:06	20241113-1304-B400_B.14-31	10	H1_Day	a53046hl	+	+	-	+	x	+	+	Ref ph-402-ac5-tlc-top Group Leigh_D	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
30	13:17:21	20241113-1250-B400_B.14-30	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-328-10 Group James_M
28	13:12:16	20241113-1250-B400_B.14-28	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-328-20 Group James_M
27	13:07:01	20241113-1250-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-328-30 Group James_M
26	13:02:44	20241113-1244-B400_B.14-26	10	H1_Day	j82494jb	+	+	-	+	+	+	+	Ref QBB_C26-C2R2F3-10 Group Leigh_D
25	12:58:06	20241113-1243-B400_B.14-25	11	F19_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln ruaqua Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
25	12:46:22	20241113-1243-B400_B.14-25	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln ruaqua Group Larrosa_I
24	12:41:18	20241113-1157-B400_B.14-24	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H73f (c) Group Larrosa_I
23	12:35:55	20241113-1157-B400_B.14-23	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H73e (c) Group Larrosa_I
22	12:30:26	20241113-1157-B400_B.14-22	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H73d (c) Group Larrosa_I
20	12:25:09	20241113-1215-B400_B.14-20	10	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_004B_2h_rt Group Willcox_D
19	12:20:33	20241113-1206-B400_B.14-19	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2074-filt Group Riddell_I
18	12:15:38	20241113-1155-B400_B.14-18	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H73c (c) Group Larrosa_I
17	12:10:55	20241113-1155-B400_B.14-17	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H73b (c) Group Larrosa_I
16	12:05:53	20241113-1155-B400_B.14-16	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H73a (c) Group Larrosa_I
12	12:00:54	20241113-1143-B400_B.14-12	10	H1_Day	a53046hl	+	+	-	+	+	+	+	Ref ph-401-heat Group Leigh_D
12	11:44:16	20241113-1143-B400_B.14-12	10	H1_Day	a53046hl	x	-	-	-	-	-	-	Ref ph-401-heat Group Leigh_D	WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
10	11:41:39	20241113-1125-B400_B.14-10	11	H1_Night	j92926fr	-	+	-	-	-	+	+	Ref FEE 3 Group Webb_S
10	11:26:57	20241113-1125-B400_B.14-10	10	H1_COSY_HiRes_Night	j92926fr	+	+	-	+	+	+	+	Ref FEE 3 Group Webb_S
15	11:18:13	20241113-1050-B400_B.14-15	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC63F 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/20241113-1050-B400_B.14-15/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241113-1050-B400_B.14-15/10/pdata/1/peaks!
14	11:14:49	20241113-1050-B400_B.14-14	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC63E 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/20241113-1050-B400_B.14-14/10/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/20241113-1050-B400_B.14-14/10/pdata/1/peaks!
13	11:11:23	20241113-1050-B400_B.14-13	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC63D 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/20241113-1050-B400_B.14-13/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241113-1050-B400_B.14-13/10/pdata/1/peaks!
9	11:07:57	20241113-1047-B400_B.14-9	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC63C 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/20241113-1047-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/20241113-1047-B400_B.14-9/10/pdata/1/peaks!
8	11:04:32	20241113-1047-B400_B.14-8	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC63B 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/20241113-1047-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/20241113-1047-B400_B.14-8/10/pdata/1/peaks!
7	11:01:04	20241113-1047-B400_B.14-7	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC63A 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/20241113-1047-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/20241113-1047-B400_B.14-7/10/pdata/1/peaks!
6	10:56:48	20241113-1045-B400_B.14-6	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-458-crude-b Group Procter_D
5	10:52:16	20241113-1033-B400_B.14-5	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ294 Group Procter_D
4	10:46:53	20241113-1033-B400_B.14-4	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ293 Group Procter_D
3	10:44:47	20241113-1028-B400_B.14-3	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-34fr6-9 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
3	10:40:00	20241113-1028-B400_B.14-3	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-34fr6-9 Group Trowbridge_A
2	10:37:41	20241113-1028-B400_B.14-2	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-34fr2-4 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	10:32:39	20241113-1028-B400_B.14-2	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-34fr2-4 Group Trowbridge_A
1	10:27:54	20241113-1027-B400_B.14-1	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-23h Group James_M
31	10:17:24	20241113-1015-B400_B.14-31	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref cr-tBus Group Procter_D
30	10:12:47	20241113-1011-B400_B.14-30	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref GC-MOTOR-021-PEG12-anhydride Group Leigh_D
20	09:45:17	20241113-0943-B400_B.14-20	10	H1_Day	b78349dw	+	+	-	+	+	+	+	Ref DW02_004SM Group Willcox_D
19	09:40:37	20241113-0940-B400_B.14-19	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-069A.4 Group Riddell_I
3	09:03:34	20241113-0851-B400_B.14-3	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-33 Group Trowbridge_A
2	08:59:29	20241113-0849-B400_B.14-2	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Amide DPEEN Group Larrosa_I
1	08:53:49	20241113-0849-B400_B.14-1	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide Amide ArCF3 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
1	08:49:27	20241113-0849-B400_B.14-1	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Amide ArCF3 Group Larrosa_I
12	23:13:44	20241112-2254-B400_B.14-12	10	H1_Day	mbdxwjz5	+	+	-	+	+	+	+	Ref zjk-10-111gpc1 Group Leigh_D
7	22:59:13	20241112-2153-B400_B.14-7	10	H1_Night128	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-FUEL Group Leigh_D
6	22:44:56	20241112-2153-B400_B.14-6	10	H1_Night128	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-VI-01 Group Leigh_D
10	22:40:26	20241112-2123-B400_B.14-10	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-024b Group Webb_S
9	22:35:41	20241112-2123-B400_B.14-9	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-145b OMe Group Webb_S
5	22:21:38	20241112-2121-B400_B.14-5	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b mix2 F3 Group Webb_S
4	22:07:20	20241112-2121-B400_B.14-4	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b mix2 F2 Group Webb_S
3	21:52:50	20241112-2121-B400_B.14-3	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b mix2 F1 Group Webb_S
2	21:50:33	20241112-2042-B400_B.14-2	11	H1_Night	k64888zx	-	+	-	-	-	+	+	Ref zx362-2%dvb Group Shaver_M
2	21:22:14	20241112-2042-B400_B.14-2	10	P31_Wide_Night	k64888zx	+	+	-	+	+	+	+	Ref zx362-2%dvb Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	20:56:01	20241112-2047-B400_B.14-1	12	P31_Wide_Night	k64888zx	-	+	-	-	-	+	+	Ref zx360-ta 24h Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	20:54:10	20241112-2047-B400_B.14-1	11	B11_NoCPD_Night	k64888zx	-	+	-	-	-	+	+	Ref zx360-ta 24h Group Shaver_M	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 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241112-2047-B400_B.14-1/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241112-2047-B400_B.14-1/11/pdata/1/peaks!
1	20:49:44	20241112-2047-B400_B.14-1	10	H1_Night	k64888zx	+	+	-	+	+	+	+	Ref zx360-ta 24h Group Shaver_M
60	20:47:06	20241112-2041-B400_B.14-60	11	P31_Wide_Day	k64888zx	-	+	-	-	-	+	+	Ref zx361-1%dvb Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241112-2041-B400_B.14-60/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241112-2041-B400_B.14-60/11/pdata/1/peaks!
60	20:42:39	20241112-2041-B400_B.14-60	10	H1_Night	k64888zx	+	+	-	+	+	+	+	Ref zx361-1%dvb Group Shaver_M
14	20:16:00	20241112-2015-B400_B.14-14	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref qln-p6 Group Leigh_D
1	20:00:08	20241112-1959-B400_B.14-1	10	H1_Day	k02620dc	+	+	-	+	+	+	+	Ref DC-02-10-column Group Leigh_D
59	19:48:05	20241112-1933-B400_B.14-59	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref cr-B Group Procter_D
9	19:43:23	20241112-1827-B400_B.14-9	10	H1_Night	y03366aa	+	+	-	+	+	+	+	Ref L-2.01 Group Schroder_M
13	19:38:52	20241112-1816-B400_B.14-13	10	H1_Night	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-BnBr Group DeBo_G
12	19:34:10	20241112-1815-B400_B.14-12	10	H1_Night	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-735-crude Group DeBo_G
58	19:22:25	20241112-1807-B400_B.14-58	11	H1_COSY_HiRes_Night	p00481wi	-	+	-	-	-	+	+	Ref GDB-WI851-sample-polymer-after-Et2O-wash Group DeBo_G
58	19:08:18	20241112-1807-B400_B.14-58	10	H1_Night128	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI851-sample-polymer-after-Et2O-wash Group DeBo_G
51	19:03:49	20241112-1718-B400_B.14-51	11	H1_Night	v67557bm	+	+	-	+	+	+	+	Ref BM536 Group Willcox_D
2	18:52:46	20241112-1034-B400_B.14-2	12	C13_DEPT135_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-128 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	18:48:04	20241112-1844-B400_B.14-10	10	H1_Day	a53046hl	+	+	-	+	+	+	+	Ref ph-404-start Group Leigh_D
8	18:31:14	20241112-1503-B400_B.14-8	10	C13_CPD_Night256	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-03 13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6	18:28:56	20241112-1747-B400_B.14-6	11	F19_CPD_Day	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0044B_19F Group DeBo_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	18:24:28	20241112-1747-B400_B.14-6	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0044B_1H Group DeBo_G
56	18:18:49	20241112-1734-B400_B.14-56	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-048 overnight Group Mehta_M
55	18:13:19	20241112-1720-B400_B.14-55	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B NH4Cl 60C 1h Group Mehta_M
54	18:07:47	20241112-1720-B400_B.14-54	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A NH4Cl 60C 1h Group Mehta_M
53	18:03:03	20241112-1623-B400_B.14-53	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-33d Group Trowbridge_A
51	17:58:36	20241112-1718-B400_B.14-51	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM536 Group Willcox_D
50	17:55:46	20241112-1644-B400_B.14-50	11	F19_CPD_Day	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0044A_19F Group DeBo_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
50	17:50:57	20241112-1644-B400_B.14-50	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0044A_1H Group DeBo_G
49	17:46:22	20241112-1623-B400_B.14-49	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-33c Group Trowbridge_A
48	17:41:10	20241112-1623-B400_B.14-48	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-33b Group Trowbridge_A
47	17:36:23	20241112-1622-B400_B.14-47	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-33a Group Trowbridge_A
46	17:36:07	20241112-1530-B400_B.14-46	10	H1_Day	e02956op	-	-	-	-	-	-	-	Ref GDB-OP0046-1H_2 Group DeBo_G
45	17:31:23	20241112-1658-B400_B.14-45	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-595 P1 Group James_M
44	17:26:37	20241112-1618-B400_B.14-44	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM535 Group Willcox_D
43	17:22:11	20241112-1618-B400_B.14-43	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM534 Group Willcox_D
42	17:19:56	20241112-1618-B400_B.14-42	10	H1_Day	v67557bm	-	-	-	-	-	-	-	Ref BM533 Group Willcox_D
41	17:15:05	20241112-1616-B400_B.14-41	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref sq-01-010 Group Procter_D
40	17:10:31	20241112-1611-B400_B.14-40	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-145bOMe Group Webb_S
39	17:06:04	20241112-1606-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-327-3h Group James_M
38	17:01:27	20241112-1606-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-5h Group James_M
37	16:56:52	20241112-1606-B400_B.14-37	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-4h Group James_M
36	16:51:58	20241112-1603-B400_B.14-36	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref DPPEn urea + ArCF3 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
36	16:47:40	20241112-1603-B400_B.14-36	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref DPPEn urea + ArCF3 Group Larrosa_I
35	16:43:25	20241112-1603-B400_B.14-35	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref DPPEn urea Group Larrosa_I
34	16:39:20	20241112-1552-B400_B.14-34	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-129-1b Group Procter_D
33	16:35:15	20241112-1552-B400_B.14-33	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-129-1a Group Procter_D
32	16:30:47	20241112-1551-B400_B.14-32	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-125cTMB Group James_M
31	16:26:02	20241112-1551-B400_B.14-31	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-124cTMB Group James_M
30	16:21:23	20241112-1551-B400_B.14-30	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-123cTMB Group James_M
28	16:16:10	20241112-1549-B400_B.14-28	10	H1_Day	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ4-66-1 Group Procter_D
27	16:11:12	20241112-1540-B400_B.14-27	10	H1_Day	a17560mt	+	+	-	+	+	+	+	Ref REPW-MT008 F3 DPyDPP Group Winpenny_R
26	16:05:37	20241112-1527-B400_B.14-26	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 with electrophilie 40C o/n Group Mehta_M
25	16:02:19	20241112-1526-B400_B.14-25	11	F19_CPD_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB095_19F Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
25	15:58:24	20241112-1526-B400_B.14-25	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB095 Group Procter_D
24	15:53:55	20241112-1524-B400_B.14-24	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref SE110 Group Crisenza_G
23	15:49:27	20241112-1518-B400_B.14-23	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ290 Group Procter_D
22	15:44:57	20241112-1509-B400_B.14-22	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-718-2 Group DeBo_G
21	15:40:45	20241112-1507-B400_B.14-21	10	H1_Day	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-55 Group DeBo_G
20	15:35:11	20241112-1455-B400_B.14-20	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-072 Group Procter_D
19	15:30:13	20241112-1452-B400_B.14-19	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtd146 Group Webb_S
18	15:25:32	20241112-1404-B400_B.14-18	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-222-2b Group Greaney_M
17	15:21:18	20241112-1403-B400_B.14-17	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-222-2a Group Greaney_M
16	15:18:48	20241112-1450-B400_B.14-16	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-34 crude 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
16	15:14:18	20241112-1450-B400_B.14-16	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-34 crude Group Trowbridge_A
15	15:08:53	20241112-1402-B400_B.14-15	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-222-1 Group Greaney_M
14	15:03:32	20241112-1341-B400_B.14-14	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-30min asc purp Group James_M
13	14:58:43	20241112-1341-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-45min 1mg asc Group James_M
12	14:53:39	20241112-1341-B400_B.14-12	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-3h Group James_M
11	14:50:58	20241112-1336-B400_B.14-11	10	H1_ExtraWide_Day	p93668sz	-	-	-	-	-	-	-	Ref PrN"3 Group Liddle_S
10	14:46:53	20241112-1118-B400_B.14-10	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H11t40 Group Gibson_M
9	14:42:37	20241112-1116-B400_B.14-9	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G11t40 Group Gibson_M
8	14:37:34	20241112-1358-B400_B.14-8	10	H1_Day	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-03 CRUDE Group DeBo_G
7	14:01:31	20241112-1330-B400_B.14-7	12	H1_Quant_D1_25s_Day	b72547am	-	+	-	-	-	+	+	Ref 4-15R2 80c 15min Group Larrosa_I
7	13:59:13	20241112-1330-B400_B.14-7	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-15R2 80c 15min Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
7	13:48:57	20241112-1330-B400_B.14-7	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-15R2 80c 15min Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
6	13:46:35	20241112-1330-B400_B.14-6	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-15R1 80c 15min Group Larrosa_I
6	13:40:42	20241112-1330-B400_B.14-6	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	-	+	+	Ref 4-15R1 80c 15min Group Larrosa_I
5	13:36:13	20241112-1054-B400_B.14-5	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F11t40 Group Gibson_M
4	13:32:01	20241112-1326-B400_B.14-4	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E11t40 Group Gibson_M
3	13:27:42	20241112-1325-B400_B.14-3	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM0012-2-D11t40 Group Gibson_M
2	13:10:57	20241112-1034-B400_B.14-2	11	C13_CPD_Night256	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-128 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	12:59:37	20241112-1034-B400_B.14-1	12	C13_DEPT135_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-127 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	12:54:52	20241112-1240-B400_B.14-26	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-456-ac-b Group Procter_D
25	12:50:22	20241112-1235-B400_B.14-25	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321- no ascorbic Group James_M
24	12:45:50	20241112-1234-B400_B.14-24	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-2h Group James_M
23	12:43:21	20241112-1227-B400_B.14-23	11	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 540 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
23	12:37:39	20241112-1227-B400_B.14-23	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 540 crude Group Larrosa_I
22	12:32:57	20241112-1214-B400_B.14-22	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc E495 P1 Group DeBo_G
21	12:28:35	20241112-1213-B400_B.14-21	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-594 Group James_M
20	12:23:32	20241112-1209-B400_B.14-20	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1663_1h Group Procter_D
19	12:18:47	20241112-1205-B400_B.14-19	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-30 ascorbic Group James_M
18	12:14:12	20241112-1205-B400_B.14-18	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-60 Group James_M
17	12:09:38	20241112-1205-B400_B.14-17	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-40 Group James_M
15	12:05:05	20241112-1154-B400_B.14-15	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-456-ac Group Procter_D
14	12:00:54	20241112-1128-B400_B.14-14	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-C11t40 Group Gibson_M
13	11:56:35	20241112-1128-B400_B.14-13	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-B11t40 Group Gibson_M
12	11:52:11	20241112-1128-B400_B.14-12	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-A11t40 Group Gibson_M
11	11:47:26	20241112-1055-B400_B.14-11	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-325- o/n Group James_M
10	11:44:25	20241112-1118-B400_B.14-10	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ289_PC Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
10	11:40:10	20241112-1118-B400_B.14-10	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ289_PC Group Procter_D
9	11:37:44	20241112-1116-B400_B.14-9	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-13 after elec Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
9	11:31:02	20241112-1116-B400_B.14-9	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-13 after elec Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
8	11:25:48	20241112-1058-B400_B.14-8	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0046-1H Group DeBo_G
7	11:21:19	20241112-1055-B400_B.14-7	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-5min Group James_M
6	11:16:51	20241112-1055-B400_B.14-6	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-10min Group James_M
5	11:12:20	20241112-1054-B400_B.14-5	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-326-20min Group James_M
4	11:10:16	20241112-1051-B400_B.14-4	11	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 pincer 2 Group Larrosa_I
4	11:07:12	20241112-1051-B400_B.14-4	10	H1_Day	r64579jc	+	+	-	+	-	+	+	Ref 539 pincer 2 Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241112-1051-B400_B.14-4/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241112-1051-B400_B.14-4/10/pdata/1/peaks!
3	11:04:51	20241112-1051-B400_B.14-3	11	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 tbu 2 Group Larrosa_I
3	11:01:42	20241112-1051-B400_B.14-3	10	H1_Day	r64579jc	+	+	-	+	-	+	+	Ref 539 tbu 2 Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241112-1051-B400_B.14-3/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241112-1051-B400_B.14-3/10/pdata/1/peaks!
1	10:44:39	20241112-1034-B400_B.14-1	11	C13_CPD_Night256	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-127 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	10:40:09	20241112-1034-B400_B.14-2	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-128 Group Procter_D
1	10:35:38	20241112-1034-B400_B.14-1	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-127 Group Procter_D
21	10:21:04	20241112-1020-B400_B.14-21	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-071 Group Procter_D
18	10:14:44	20241112-1013-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-458-a-crude Group Procter_D
22	09:53:01	20241112-0941-B400_B.14-22	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-33 Group Trowbridge_A
20	09:47:30	20241112-0940-B400_B.14-20	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-etoricoxib Group James_M
19	09:43:13	20241112-0935-B400_B.14-19	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-372-(b) Group Greaney_M
18	09:36:46	20241112-0935-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-372-(a) Group Greaney_M
2	09:06:21	20241112-0905-B400_B.14-2	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-070 Group Procter_D
60	05:38:16	20241111-2157-B400_B.14-60	10	H1_Night	w61916tz	+	+	-	+	+	+	+	Ref sy-tz-14-h2bibta Group Schroder_M
54	05:21:11	20241111-1701-B400_B.14-54	12	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref sg phea 50 after Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39	05:08:52	20241111-1524-B400_B.14-39	14	H1_C13_HSQC_US_Night	n37729zl	-	+	-	-	-	+	+	Ref 241108-1b Group Greaney_M
39	05:06:40	20241111-1524-B400_B.14-39	13	H1_Night	n37729zl	-	+	-	-	-	+	+	Ref 241108-1b Group Greaney_M
39	04:58:13	20241111-1524-B400_B.14-39	12	C13_DEPT135_Night	n37729zl	-	+	-	-	-	+	+	Ref 241108-1b Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
39	04:41:37	20241111-1524-B400_B.14-39	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-1b Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	04:24:50	20241111-1433-B400_B.14-28	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-6a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	04:07:48	20241111-1432-B400_B.14-26	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-4a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	03:43:34	20241108-1456-B400_B.14-10	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-10 Group Dryfe_R 20241107_C Paper_-2.1V_30min
9	03:19:56	20241108-1455-B400_B.14-9	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-9 Group Dryfe_R 20241107_C Paper_-2.0V_30min
8	02:56:18	20241108-1455-B400_B.14-8	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-8 Group Dryfe_R 20241107_C Paper_0h-2
7	02:32:10	20241108-1454-B400_B.14-7	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-7 Group Dryfe_R 20241107_C Paper_-1.9V_30min
5	02:08:03	20241108-1452-B400_B.14-5	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-5 Group Dryfe_R 20241107_C Paper_-1.7V_30min
38	01:44:31	20241108-1748-B400_B.14-38	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 1 rep CuZnIn initial Group Dryfe_R
37	01:20:37	20241108-1743-B400_B.14-37	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 1 rep CuZnIn -1.8V Group Dryfe_R
36	00:56:58	20241108-1743-B400_B.14-36	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 1 rep CuZnIn -1.9V Group Dryfe_R
35	00:32:56	20241108-1743-B400_B.14-35	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 1 rep CuZnIn -2V Group Dryfe_R
55	00:09:02	20241108-1712-B400_B.14-55	13	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 rep 2 CuZnIn initial Group Dryfe_R
56	23:45:08	20241108-1712-B400_B.14-56	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 rep 2 CuZnIn 1.8 V Group Dryfe_R
57	23:42:19	20241108-1712-B400_B.14-57	10	H1_Quant_d1_56s_Night	d69167rj	-	-	-	-	-	-	-	Ref 6/11/24 rep 2 CuZnIn 1.9 V Group Dryfe_R
58	23:18:14	20241108-1712-B400_B.14-58	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 rep 2 CuZnIn 2 V Group Dryfe_R
59	22:54:10	20241108-1712-B400_B.14-59	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	+	+	+	+	Ref 6/11/24 rep 2 CuZnIn 2.1 V Group Dryfe_R
45	22:35:46	20241108-1523-B400_B.14-45	15	H1_C13_HMBC_US_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-371full Group Procter_D
45	22:09:55	20241108-1523-B400_B.14-45	14	H1_C13_HSQCed_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-371full Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
44	21:51:31	20241108-1523-B400_B.14-44	15	H1_C13_HMBC_US_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-370full Group Procter_D
44	21:25:54	20241108-1523-B400_B.14-44	14	H1_C13_HSQCed_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-370full Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
43	21:07:31	20241108-1523-B400_B.14-43	15	H1_C13_HMBC_US_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-369full Group Procter_D
43	20:41:25	20241108-1523-B400_B.14-43	14	H1_C13_HSQCed_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-369full Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
34	20:17:12	20241108-1457-B400_B.14-34	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-14 Group Dryfe_R 20241107_C Paper_-2.5V_30min
33	19:52:52	20241108-1457-B400_B.14-33	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-13 Group Dryfe_R 20241107_C Paper_-2.4V_30min
32	19:28:57	20241108-1456-B400_B.14-32	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-12 Group Dryfe_R 20241107_C Paper_-2.3V_30min
31	19:04:37	20241108-1456-B400_B.14-31	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-11 Group Dryfe_R 20241107_C Paper_-2.2V_30min
3	18:47:47	20241111-1801-B400_B.14-3	11	C13_CPD_Night256	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB091_F1_13C Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	18:43:18	20241111-1834-B400_B.14-1	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e497 p Group DeBo_G
22	18:26:15	20241111-1431-B400_B.14-22	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-3a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	18:21:30	20241111-1809-B400_B.14-11	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
6	18:16:45	20241111-1803-B400_B.14-6	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB084_p24 Group Procter_D
4	18:11:44	20241111-1801-B400_B.14-4	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB089_f5 Group Procter_D
3	18:07:12	20241111-1801-B400_B.14-3	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB091_F1 Group Procter_D
2	18:05:21	20241111-1755-B400_B.14-2	11	F19_NoCPD_Day	w52164bc	-	+	-	-	-	+	+	Ref am purity check Group James_M	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
2	18:01:10	20241111-1755-B400_B.14-2	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref am purity check Group James_M
1	17:56:33	20241111-1705-B400_B.14-1	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-325-60 Group James_M
60	17:51:50	20241111-1650-B400_B.14-60	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-086D Group Trowbridge_A
54	17:47:50	20241111-1701-B400_B.14-54	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref sg phea 50 after Group Gibson_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
54	17:42:06	20241111-1701-B400_B.14-54	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg phea 50 after Group Gibson_M
53	17:37:36	20241111-1650-B400_B.14-53	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-086C Group Trowbridge_A
52	17:32:47	20241111-1636-B400_B.14-52	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-325-20 Group James_M
51	17:28:29	20241111-1649-B400_B.14-51	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-086B Group Trowbridge_A
50	17:23:13	20241111-1649-B400_B.14-50	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-086A Group Trowbridge_A
48	17:18:41	20241111-1635-B400_B.14-48	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-325-10 Group James_M
47	17:14:04	20241111-1635-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-325-5 Group James_M
46	17:09:00	20241111-1635-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-325-30 Group James_M
42	17:04:42	20241111-1641-B400_B.14-42	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-456-crude Group Procter_D
41	16:58:25	20241111-1633-B400_B.14-41	11	H1_COSY_Day	p00481wi	-	+	-	-	-	+	+	Ref GDB-WI847-prep-F2 Group DeBo_G
41	16:53:56	20241111-1633-B400_B.14-41	10	H1_Day	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI847-prep-F2 Group DeBo_G
40	16:49:22	20241111-1629-B400_B.14-40	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-122 f17-42 Group James_M
30	16:44:29	20241111-1628-B400_B.14-30	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-122 f13-16 Group James_M
27	16:27:55	20241111-1432-B400_B.14-27	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-5a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	16:25:08	20241111-1622-B400_B.14-29	10	H1_ExtraWide_Day	p93668sz	-	-	-	-	-	-	-	Ref PrN"3 Group Liddle_S
27	16:20:50	20241111-1432-B400_B.14-27	12	F19_NoCPD_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-5a 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
24	16:16:01	20241111-1610-B400_B.14-24	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-717-2 Group DeBo_G
23	16:11:51	20241111-1555-B400_B.14-23	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM532 Group Willcox_D
21	15:54:22	20241111-1431-B400_B.14-21	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	15:50:18	20241111-1548-B400_B.14-49	10	H1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC-PhSiH3-C6D6 Group Larrosa_I
48	15:45:55	20241111-1540-B400_B.14-48	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-774-c-1h-cdcl3 Group Crisenza_G
47	15:42:37	20241111-1532-B400_B.14-44	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref starting material Group Larrosa_I
46	15:39:34	20241111-1532-B400_B.14-43	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref pincer 1 Group Larrosa_I
42	15:36:22	20241111-1532-B400_B.14-42	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref tbu 1 Group Larrosa_I
41	15:31:47	20241111-1520-B400_B.14-41	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-cdcl3 from bottle Group James_M
39	15:27:22	20241111-1524-B400_B.14-39	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-1b Group Greaney_M
30	15:22:42	20241111-1519-B400_B.14-30	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
29	15:18:17	20241111-1510-B400_B.14-29	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b mix-2 Group Webb_S
28	15:13:37	20241111-1433-B400_B.14-28	12	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-6a Group Greaney_M
20	14:56:43	20241111-1431-B400_B.14-20	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241108-1a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27	14:52:28	20241111-1432-B400_B.14-27	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-5a Group Greaney_M
26	14:48:08	20241111-1432-B400_B.14-26	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-4a Group Greaney_M
22	14:43:36	20241111-1431-B400_B.14-22	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-3a Group Greaney_M
21	14:39:06	20241111-1431-B400_B.14-21	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-2a Group Greaney_M
20	14:34:49	20241111-1431-B400_B.14-20	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241108-1a Group Greaney_M
19	14:30:15	20241111-1429-B400_B.14-19	10	H1_Day	y38246dt	+	+	-	+	+	+	+	Ref GDB-DT-833-Cr Group DeBo_G GDB-DT-833-Cr
18	14:15:45	20241111-1408-B400_B.14-18	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-068-B Group Procter_D
17	14:10:15	20241111-1406-B400_B.14-17	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-122 f17-43 Group James_M
15	14:05:21	20241111-1403-B400_B.14-15	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref L-Ala-NHtBu Group Webb_S
14	13:49:28	20241111-1329-B400_B.14-14	12	C13_CPD_Night256	b06681sg	-	+	-	-	-	+	+	Ref MG SG PHEA 50 Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	13:44:59	20241111-1329-B400_B.14-14	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG PHEA 50 Group Gibson_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
14	13:40:25	20241111-1329-B400_B.14-14	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG SG PHEA 50 Group Gibson_M
12	13:23:25	20241111-1136-B400_B.14-12	14	C13_CPD_Night256	j92926fr	+	+	-	+	+	+	+	Ref fee 3 Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	12:38:00	20241109-1938-B400_B.14-4	10	H1_Night	g16660ml	x	-	-	-	-	-	-	Ref djp-muze-pyridine Group Procter_D	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.4'.
3	12:37:52	20241109-1938-B400_B.14-3	10	H1_Night	g16660ml	x	-	-	-	-	-	-	Ref djp-muze-substrate-5-s Group Procter_D	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.3'.
2	12:37:30	20241109-1938-B400_B.14-2	10	H1_Night	g16660ml	-	-	-	-	-	-	-	Ref djp-muze-substrate-ph-pyridine Group Procter_D
51	12:33:02	20241111-1225-B400_B.14-51	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-benzaldehyde Group DeBo_G
50	12:28:52	20241111-1215-B400_B.14-50	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH002TOA F16-32 Group Greaney_M
49	12:24:18	20241111-1201-B400_B.14-49	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ286_B Group Procter_D
48	12:19:09	20241111-1201-B400_B.14-48	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ286_T Group Procter_D
47	12:17:06	20241111-1202-B400_B.14-47	10	H1_Day	x25009jo	-	-	-	-	-	-	-	Ref GDB-JO-benzaldehyde Group DeBo_G
46	12:00:35	20241108-1629-B400_B.14-46	14	C13_CPD_Night256	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-391 Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47	11:53:21	20241111-1150-B400_B.14-47	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 with electrophili rt o/n Group Mehta_M
46	11:42:09	20241108-1629-B400_B.14-46	13	C13_DEPT135_Night	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-391 Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	11:30:16	20241108-1523-B400_B.14-45	13	H1_COSY_HiRes_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-371full Group Procter_D
45	11:23:00	20241108-1523-B400_B.14-45	12	F19_NoCPD_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-371full 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
45	11:08:01	20241108-1523-B400_B.14-45	11	C13_CPD_Night256	h55599rb	-	+	-	-	-	+	+	Ref RB-8-371full Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	11:03:57	20241108-1523-B400_B.14-45	10	H1_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-371full Group Procter_D
44	10:50:09	20241108-1523-B400_B.14-44	13	H1_COSY_HiRes_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-370full Group Procter_D
47	10:45:49	20241111-1040-B400_B.14-47	10	H1_Day	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI847-72h-crude Group DeBo_G
44	10:36:42	20241108-1523-B400_B.14-44	12	F19_NoCPD_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-370full 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
18	10:32:24	20241111-1023-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-452-crude Group Procter_D
14	10:27:41	20241111-1016-B400_B.14-14	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0043 Group DeBo_G
13	10:22:34	20241111-1015-B400_B.14-13	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0039_rt4d Group DeBo_G
60	10:07:29	20241108-1739-B400_B.14-60	11	C13_CPD_Night256	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - 13C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60	10:05:23	20241108-1739-B400_B.14-60	15	P31_NoCPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - 31P	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
60	10:03:14	20241108-1739-B400_B.14-60	14	P31_NoCPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - 31P	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
60	10:01:07	20241108-1739-B400_B.14-60	13	P31_NoCPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - 31P	sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/b50715cd/nmr/20241108-1739-B400_B.14-60/13/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'THF' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Goodwin_C/data/b50715cd/nmr/20241108-1739-B400_B.14-60/13/pdata/1/peaks!
60	09:57:34	20241108-1739-B400_B.14-60	12	P31_CPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - {1H}31P	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
60	09:53:04	20241108-1739-B400_B.14-60	10	H1_Day	b50715cd	+	+	-	+	+	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - 1H
11	09:47:41	20241109-1133-B400_B.14-11	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H72 (c) Group Larrosa_I
10	20:01:24	20241108-1456-B400_B.14-10	10	H1_Quant_d1_56s_Night	f25293ck	x	-	-	-	-	-	-	Ref RD-CK-10 Group Dryfe_R 20241107_C Paper_-2.1V_30min	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.10'.
9	20:01:16	20241108-1455-B400_B.14-9	10	H1_Quant_d1_56s_Night	f25293ck	x	-	-	-	-	-	-	Ref RD-CK-9 Group Dryfe_R 20241107_C Paper_-2.0V_30min	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.9'.
8	20:00:56	20241108-1455-B400_B.14-8	10	H1_Quant_d1_56s_Night	f25293ck	-	-	-	-	-	-	-	Ref RD-CK-8 Group Dryfe_R 20241107_C Paper_0h-2
1	19:46:05	20241109-1938-B400_B.14-1	11	C13_CPD_Night256	g16660ml	-	+	-	-	-	+	+	Ref djp-muze-olefin-ome Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	19:41:10	20241109-1938-B400_B.14-1	10	H1_Night	g16660ml	+	+	-	+	+	+	+	Ref djp-muze-olefin-ome Group Procter_D
7	14:46:52	20241108-1454-B400_B.14-7	10	H1_Quant_d1_56s_Night	f25293ck	x	-	-	-	-	-	-	Ref RD-CK-7 Group Dryfe_R 20241107_C Paper_-1.9V_30min	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.7'.
6	14:46:43	20241103-2041-B400_B.14-6	13	H1_Quant_d1_56s_Night	f25293ck	x	-	-	-	-	-	-	Ref RD-CK-6 Group Dryfe_R 20241107_C Paper_-1.8V_30min	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.6'.
5	14:46:25	20241108-1452-B400_B.14-5	10	H1_Quant_d1_56s_Night	f25293ck	-	-	-	-	-	-	-	Ref RD-CK-5 Group Dryfe_R 20241107_C Paper_-1.7V_30min
4	14:22:47	20241108-1452-B400_B.14-4	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-4 Group Dryfe_R 20241107_C Paper_-1.6V_30min
3	13:58:40	20241108-1451-B400_B.14-3	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-3 Group Dryfe_R 20241107_C Paper_-1.5V_30min
2	13:34:32	20241108-1451-B400_B.14-2	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-2 Group Dryfe_R 20241107_C Paper_-1.4V_30min
1	13:10:34	20241108-1450-B400_B.14-1	10	H1_Quant_d1_56s_Night	f25293ck	+	+	-	+	+	+	+	Ref RD-CK-1 Group Dryfe_R 20241107_C Paper_0h-1
24	12:41:23	20241108-1416-B400_B.14-24	10	P31_CPD_Night	e87754er	+	+	-	+	+	+	+	Ref yuhang.li-3@student.manchester.ac.uk Group Procter_D	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
19	12:24:22	20241108-1146-B400_B.14-19	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241106-6a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	12:07:37	20241108-1146-B400_B.14-18	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241106-5a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	11:50:44	20241108-1145-B400_B.14-14	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241106-4a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	11:33:27	20241108-1145-B400_B.14-13	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241106-3a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	11:30:19	20241108-1712-B400_B.14-54	10	H1_Quant_d1_56s_Night	d69167rj	+	+	-	x	-	-	-	Ref 6/11/24 rep 1 CuZnIn 2.1 V Group Dryfe_R	Lock failed after multiple attempts, lock: Command 'lock D2O' failed. Lock is OFF, Command 'lock D2O' failed. Lock is OFF
53	17:36:46	20241108-1725-B400_B.14-53	10	H1_Day	k52190db	x	-	-	-	-	-	-	Ref IL-DB-66 Group Larrosa_I	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.53'.
51	17:36:38	20241108-1730-B400_B.14-51	10	H1_Day	z65435tw	x	-	-	-	-	-	-	Ref tw-773-c-1h-cdcl3 Group Crisenza_G	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.51'.
50	17:36:22	20241108-1730-B400_B.14-50	10	H1_Day	z65435tw	-	-	-	-	-	-	-	Ref tw-772-c-1h-cdcl3 Group Crisenza_G
49	17:31:47	20241108-1717-B400_B.14-49	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-122e Group James_M
48	17:27:37	20241108-1716-B400_B.14-48	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln48-1 Group Larrosa_I
47	17:22:56	20241108-1629-B400_B.14-47	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 537 prod Group Larrosa_I
46	17:20:41	20241108-1629-B400_B.14-46	15	H1_Day	e04286tn	-	+	-	-	-	+	+	Ref GDB-TNG-III-391 Group DeBo_G
46	17:11:49	20241108-1629-B400_B.14-46	12	H1_COSY_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-391 Group DeBo_G
44	16:56:49	20241108-1523-B400_B.14-44	11	C13_CPD_Night256	h55599rb	-	+	-	-	-	+	+	Ref RB-8-370full Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44	16:52:30	20241108-1523-B400_B.14-44	10	H1_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-370full Group Procter_D
49	16:48:14	20241108-1634-B400_B.14-49	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-082-P Group Trowbridge_A
48	16:43:31	20241108-1629-B400_B.14-48	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB068_ammine Group Procter_D
47	16:39:35	20241108-1629-B400_B.14-47	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB090 Group Procter_D
46	16:35:35	20241108-1629-B400_B.14-46	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB089 Group Procter_D
43	16:23:42	20241108-1523-B400_B.14-43	13	H1_COSY_HiRes_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-369full Group Procter_D
43	16:14:35	20241108-1523-B400_B.14-43	12	F19_NoCPD_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-369full 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
43	15:57:54	20241108-1523-B400_B.14-43	11	C13_CPD_Night256	h55599rb	+	+	-	+	+	+	+	Ref RB-8-369full Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46	15:53:28	20241108-1552-B400_B.14-46	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ286_WU Group Procter_D
43	15:49:20	20241108-1523-B400_B.14-43	10	H1_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-369full Group Procter_D
42	15:44:50	20241108-1523-B400_B.14-42	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-372A4 Group Procter_D
41	15:40:20	20241108-1518-B400_B.14-41	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-765-p2-nmr-1h-cdcl3 Group Crisenza_G
40	15:35:40	20241108-1518-B400_B.14-40	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-762-p-nmr-1h-cdcl3 Group Crisenza_G
39	15:33:22	20241108-1408-B400_B.14-39	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-046 B with e- 60C o/n 31P Group Mehta_M
39	15:28:11	20241108-1408-B400_B.14-39	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B with e- 60C o/n 19F Group Mehta_M
38	15:25:33	20241108-1408-B400_B.14-38	11	P31_CPD_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-046 A with e- 60C o/n 31P Group Mehta_M
38	15:18:28	20241108-1408-B400_B.14-38	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A with e- 60C o/n 19F Group Mehta_M
28	15:14:08	20241108-1426-B400_B.14-28	10	H1_Day	n67799bm	+	+	-	+	+	+	+	Ref 9,10-adc Group Schroder_M
27	15:11:00	20241108-1413-B400_B.14-26	13	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 dppf Group Larrosa_I
27	15:08:58	20241108-1413-B400_B.14-26	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 dppf Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241108-1413-B400_B.14-26/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241108-1413-B400_B.14-26/12/pdata/1/peaks!
27	15:06:46	20241108-1413-B400_B.14-26	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 dppf Group Larrosa_I
27	15:03:46	20241108-1413-B400_B.14-26	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 539 dppf Group Larrosa_I
25	14:58:41	20241108-1417-B400_B.14-25	10	P31_CPD_Day	e87754er	+	+	-	+	+	+	+	Ref yuhang.li-3@student.manchester.ac.uk Group Procter_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	14:55:47	20241108-1413-B400_B.14-22	13	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 sphos Group Larrosa_I
23	14:53:44	20241108-1413-B400_B.14-22	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 sphos Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241108-1413-B400_B.14-22/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241108-1413-B400_B.14-22/12/pdata/1/peaks!
23	14:51:33	20241108-1413-B400_B.14-22	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 sphos Group Larrosa_I
23	14:48:39	20241108-1413-B400_B.14-22	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 539 sphos Group Larrosa_I
21	14:46:35	20241108-1413-B400_B.14-21	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 ipr Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241108-1413-B400_B.14-21/12/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241108-1413-B400_B.14-21/12/pdata/1/peaks!
21	14:44:25	20241108-1413-B400_B.14-21	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 ipr Group Larrosa_I
21	14:40:57	20241108-1413-B400_B.14-21	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 539 ipr Group Larrosa_I
20	14:38:46	20241108-1407-B400_B.14-20	11	P31_NoCPD_Day	n38871ln	-	+	-	-	-	+	+	Ref hk2po4 Group Larrosa_I	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
20	14:34:17	20241108-1407-B400_B.14-20	10	P31_CPD_Day	n38871ln	+	+	-	+	+	+	+	Ref hk2po4 Group Larrosa_I	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
17	14:32:09	20241108-1150-B400_B.14-17	12	P31_NoCPD_Day	n38871ln	-	+	-	-	-	+	+	Ref h2kpo4 Group Larrosa_I	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
17	14:27:46	20241108-1150-B400_B.14-17	11	P31_CPD_Day	n38871ln	+	+	-	+	+	+	+	Ref h2kpo4 Group Larrosa_I	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
15	14:25:40	20241104-1557-B400_B.14-15	15	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 pcy3 Group Larrosa_I
15	14:22:48	20241104-1557-B400_B.14-15	14	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 pcy3 Group Larrosa_I
15	14:20:45	20241104-1557-B400_B.14-15	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 pcy3 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241104-1557-B400_B.14-15/13/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241104-1557-B400_B.14-15/13/pdata/1/peaks!
15	14:18:36	20241104-1557-B400_B.14-15	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 539 pcy3 Group Larrosa_I
15	14:15:18	20241104-1557-B400_B.14-15	11	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 539 pcy3 Group Larrosa_I
12	13:57:57	20241108-1145-B400_B.14-12	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241106-1a2 Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37	13:53:35	20241108-1347-B400_B.14-37	10	H1_Day	w55864co	+	+	-	+	+	+	+	Ref IL_COM3_3pure Group Larrosa_I
43	13:48:49	20241108-1311-B400_B.14-43	10	H1_Day	w43932ra	+	+	-	+	+	+	+	Ref RA13 Group Gardiner_J
36	13:44:20	20241108-1341-B400_B.14-36	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg016cp Group Crisenza_G
35	13:39:51	20241108-1324-B400_B.14-35	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-771-c-1h-cdcl3 Group Crisenza_G
34	13:35:21	20241108-1324-B400_B.14-34	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-770-c-1h-cdcl3 Group Crisenza_G
33	13:31:22	20241108-1255-B400_B.14-33	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-586 Am (2.0 equiv.) Group James_M
32	13:27:20	20241108-1254-B400_B.14-32	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-585 2.0 equiv. 1:1:1 Group James_M
31	13:22:52	20241108-1254-B400_B.14-31	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-103 P1 Group James_M
30	13:18:36	20241108-1301-B400_B.14-30	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-369-(b) Group Greaney_M
29	13:14:20	20241108-1301-B400_B.14-29	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-369-(a) Group Greaney_M
28	13:09:50	20241108-1259-B400_B.14-28	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-pyridine ester Group DeBo_G
27	13:05:06	20241108-1252-B400_B.14-27	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-103 P2 Group James_M
26	13:01:05	20241108-1252-B400_B.14-26	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-591 Etoricoxib Group James_M
25	12:56:54	20241108-1251-B400_B.14-25	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-590 N-Me Boscalid Group James_M
24	12:54:48	20241108-1226-B400_B.14-24	13	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln48-1 solid Group Larrosa_I
24	12:52:09	20241108-1226-B400_B.14-24	12	P31_Extrawide_Day	n38871ln	-	+	-	-	-	+	+	Ref ln48-1 solid Group Larrosa_I	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
24	12:49:25	20241108-1226-B400_B.14-24	11	P31_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln48-1 solid Group Larrosa_I	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
24	12:45:23	20241108-1226-B400_B.14-24	10	H1_ExtraWide_Day	n38871ln	+	+	-	+	+	+	+	Ref ln48-1 solid Group Larrosa_I
23	12:41:02	20241108-1209-B400_B.14-23	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH002TOA-C Group Greaney_M
22	12:36:31	20241104-0808-B400_B.14-22	11	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1654c Group Procter_D
21	12:34:39	20241108-1205-B400_B.14-21	11	F19_NoCPD_Day	q85514th	-	+	-	-	-	+	+	Ref TH102DI-C Group Greaney_M	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21	12:30:39	20241108-1205-B400_B.14-21	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH102DI-C Group Greaney_M
20	12:28:28	20241108-1205-B400_B.14-20	11	F19_NoCPD_Day	q85514th	-	+	-	-	-	+	+	Ref TH10XSUE-P Group Greaney_M	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
20	12:23:59	20241108-1205-B400_B.14-20	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH10XSUE-P Group Greaney_M
19	12:19:44	20241108-1146-B400_B.14-19	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241106-6a Group Greaney_M
18	12:14:34	20241108-1146-B400_B.14-18	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241106-5a Group Greaney_M
17	12:09:34	20241108-1150-B400_B.14-17	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref cr-ketone Group Procter_D
14	12:05:16	20241108-1145-B400_B.14-14	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241106-4a Group Greaney_M
13	12:00:47	20241108-1145-B400_B.14-13	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241106-3a Group Greaney_M
12	11:56:17	20241108-1145-B400_B.14-12	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241106-1a2 Group Greaney_M
11	11:51:41	20241108-1135-B400_B.14-11	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1384-A Group Larrosa_I
10	11:47:37	20241108-1132-B400_B.14-10	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ287 Group Procter_D
9	11:43:07	20241108-1132-B400_B.14-9	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ286 Group Procter_D
8	11:40:55	20241108-1129-B400_B.14-8	11	P31_CPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD114 Group Goodwin_C CD114 - C6D6 - {1H}31P	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8	11:36:44	20241108-1129-B400_B.14-8	10	H1_Day	b50715cd	+	+	-	+	+	+	+	Ref CD114 Group Goodwin_C CD114 - C6D6 - 1H
7	11:31:56	20241108-1127-B400_B.14-7	10	P31_Wide_Day	g49654cr	+	+	-	+	+	+	+	Ref Isomer A Group Romanov_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5	11:27:10	20241108-1122-B400_B.14-5	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-068 wash 2 product Group Riddell_I
3	11:22:34	20241108-1116-B400_B.14-2	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-214-1b Group Greaney_M
2	11:18:21	20241108-1117-B400_B.14-2	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-214-1c Group Greaney_M
1	11:11:15	20241108-1108-B400_B.14-1	10	H1_Day	z40973rs	+	+	-	+	+	+	+	Ref GDB-RS-02 Crude Group DeBo_G
17	11:01:40	20241108-1101-B400_B.14-17	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1658purif Group Procter_D
14	10:36:18	20241108-1036-B400_B.14-14	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067 Group Riddell_I
1	09:55:39	20241108-0954-B400_B.14-1	10	H1_Day	a17560mt	+	+	-	+	+	+	+	Ref REPW-MT008F2V10-17 Group Winpenny_R
28	09:36:06	20241108-0931-B400_B.14-28	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-Alt Group Riddell_I
27	09:30:38	20241108-0926-B400_B.14-27	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM712 Group Bures_J
26	09:26:18	20241108-0903-B400_B.14-26	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-069B Group Riddell_I
47	09:21:34	20241108-0911-B400_B.14-47	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-069A.3 Group Riddell_I
46	09:17:20	20241108-0904-B400_B.14-46	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-272C Group Procter_D
45	09:12:58	20241108-0904-B400_B.14-45	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-372B Group Procter_D
44	09:07:33	20241108-0903-B400_B.14-44	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065M Group Riddell_I
43	09:03:15	20241108-0902-B400_B.14-43	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065L Group Riddell_I
60	08:54:06	20241108-0848-B400_B.14-60	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-069-B Group Procter_D
59	08:49:23	20241108-0847-B400_B.14-59	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-069-A Group Procter_D
50	08:25:09	20241108-0824-B400_B.14-50	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1475 Product after 1 day in basic CDCl3 - Basic CDCl3 Group DeBo_G
32	03:02:06	20241107-2221-B400_B.14-32	11	F19_CPD_Night	m09677nb	-	+	-	-	-	+	+	Ref meoh ppt 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
32	02:48:00	20241107-2221-B400_B.14-32	10	H1_Night128	m09677nb	+	+	-	+	+	+	+	Ref meoh ppt Group Greaney_M
31	02:23:51	20241107-2200-B400_B.14-31	11	F19_CPD_Night512	m30316hz	-	+	-	-	-	+	+	Ref HZ-262b T1 124 145OH H2NMeCF3S Group Webb_S	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
31	02:09:56	20241107-2200-B400_B.14-31	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-262b T1 124 145OH H2NMeCF3S Group Webb_S
10	02:01:28	20241107-2039-B400_B.14-10	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-123-2 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	01:46:59	20241107-2039-B400_B.14-10	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-123-2 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	01:42:10	20241107-2039-B400_B.14-10	10	H1_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-123-2 Group Procter_D
30	01:37:31	20241107-2025-B400_B.14-30	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-29h Group James_M
34	01:30:57	20241108-0123-B400_B.14-34	10	H1_Wide_Day	r25963ar	+	+	-	+	+	+	+	Ref 4tBuquinAu_CCDABNA Group Romanov_A 4tBuquinAu_CCDABNA
29	01:16:31	20241107-2025-B400_B.14-29	11	C13_CPD_Night256	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-320-T Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	01:11:57	20241107-2025-B400_B.14-29	10	H1_Night	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-T Group James_M
28	00:53:33	20241107-2025-B400_B.14-28	14	H1_C13_HMBC_US_Night	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-320-P Group James_M
28	00:41:14	20241107-2025-B400_B.14-28	13	H1_C13_HSQC_US_Night	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-320-P Group James_M
28	00:32:46	20241107-2025-B400_B.14-28	12	C13_DEPT135_Night	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-320-P Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	00:17:54	20241107-2025-B400_B.14-28	11	C13_CPD_Night256	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-320-P Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	00:13:24	20241107-2025-B400_B.14-28	10	H1_Night	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-P Group James_M
27	00:08:48	20241107-1815-B400_B.14-27	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-081-P1-F26 Group Trowbridge_A
26	00:06:26	20241107-1814-B400_B.14-26	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 538 prod Group Larrosa_I
26	00:01:39	20241107-1814-B400_B.14-26	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 538 prod Group Larrosa_I
25	23:59:23	20241107-1813-B400_B.14-25	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref reflux Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
25	23:56:05	20241107-1813-B400_B.14-25	11	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref reflux Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
25	23:51:34	20241107-1813-B400_B.14-25	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref reflux Group Larrosa_I
24	23:39:07	20241107-1801-B400_B.14-24	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-047 RuBis + bpy 40C 1h Group Mehta_M
23	23:27:14	20241107-1756-B400_B.14-23	14	H1_COSY_HiRes_Night	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-215-FULL Group DeBo_G
23	23:08:50	20241107-1756-B400_B.14-23	13	H1_C13_HMBC_US_Night	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-215-FULL Group DeBo_G
23	22:56:31	20241107-1756-B400_B.14-23	12	H1_C13_HSQC_US_Night	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-215-FULL Group DeBo_G
23	22:41:46	20241107-1756-B400_B.14-23	11	C13_CPD_Night256	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-215-FULL Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23	22:36:37	20241107-1756-B400_B.14-23	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-215-FULL Group DeBo_G
19	22:21:51	20241107-1741-B400_B.14-19	12	C13_CPD_Night256	p10102hz	-	+	-	-	-	+	+	Ref ZHB-A-95AE Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19	22:18:51	20241107-1741-B400_B.14-19	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref ZHB-A-95AE Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
19	22:14:54	20241107-1741-B400_B.14-19	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref ZHB-A-95AE Group Procter_D
18	21:59:30	20241107-1741-B400_B.14-18	12	C13_CPD_Night256	p10102hz	-	+	-	-	-	+	+	Ref ZHB-A-95AD Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	21:56:21	20241107-1741-B400_B.14-18	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref ZHB-A-95AD Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18	21:51:59	20241107-1741-B400_B.14-18	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref ZHB-A-95AD Group Procter_D
17	21:36:59	20241107-1741-B400_B.14-17	12	C13_CPD_Night256	p10102hz	-	+	-	-	-	+	+	Ref ZHB-A-95AC Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	21:34:31	20241107-1741-B400_B.14-17	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref ZHB-A-95AC Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
17	21:30:14	20241107-1741-B400_B.14-17	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref ZHB-A-95AC Group Procter_D
16	21:13:40	20241105-1525-B400_B.14-16	14	C13_CPD_Night256	p10102hz	+	+	-	+	+	+	+	Ref ZHB-A-95AA Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15	20:56:27	20241104-1557-B400_B.14-15	14	C13_CPD_Night256	p10102hz	+	+	-	+	+	+	+	Ref ZHB-A-95Z Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	20:51:44	20241107-1209-B400_B.14-14	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg017RM Group Crisenza_G
13	20:46:55	20241107-1705-B400_B.14-13	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
9	20:29:31	20241107-1654-B400_B.14-9	11	C13_CPD_Night256	b73025ag	+	+	-	+	+	+	+	Ref StyrIsop Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	20:12:39	20241107-1633-B400_B.14-7	11	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0040-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21	20:08:25	20241107-1540-B400_B.14-21	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0039_rt Group DeBo_G
20	20:03:44	20241107-1540-B400_B.14-20	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0039_80C Group DeBo_G
2	19:50:03	20241107-1525-B400_B.14-2	10	H1_Night128	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI845-Et2O-wash Group DeBo_G
1	19:36:04	20241107-1525-B400_B.14-1	10	H1_Night128	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI843-Et2O-wash Group DeBo_G
57	18:50:00	20241107-0822-B400_B.14-57	11	H1_NOESY_US_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-1to5D2OtoMeOD Group Riddell_I
12	18:44:38	20241107-1657-B400_B.14-12	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB084_F2 Group Procter_D
11	18:39:56	20241107-1657-B400_B.14-11	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB084_F1 Group Procter_D
10	18:35:23	20241107-1657-B400_B.14-10	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB084_F0 Group Procter_D
9	18:30:52	20241107-1654-B400_B.14-9	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref StyrIsop Group Procter_D
8	18:26:32	20241107-1653-B400_B.14-8	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc582-1 s2 Group DeBo_G
7	18:22:03	20241107-1633-B400_B.14-7	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0040-1H Group DeBo_G
6	18:17:31	20241103-2041-B400_B.14-6	12	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1659_8-42 Group Procter_D
5	18:13:12	20241107-1652-B400_B.14-5	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc582-1 s1 Group DeBo_G
4	18:01:48	20241107-1641-B400_B.14-4	10	H1_Quant_D1_25s_Day	v61651mp	+	+	-	+	+	+	+	Ref MP-002 Group Shaver_M
3	17:50:18	20241107-1641-B400_B.14-3	10	H1_Quant_D1_25s_Day	v61651mp	+	+	-	+	+	+	+	Ref MP-001 Group Shaver_M
60	17:44:16	20241107-1648-B400_B.14-60	10	H1_Day	a17560mt	+	+	-	+	+	+	+	Ref REPW-MT008F2V2-9 Group Winpenny_R
59	17:33:00	20241107-1637-B400_B.14-59	10	H1_Quant_D1_25s_Day	j03696rc	+	+	-	+	+	+	+	Ref RC128.3 Group Shaver_M
58	17:21:36	20241107-1637-B400_B.14-58	10	H1_Quant_D1_25s_Day	j03696rc	+	+	-	+	+	+	+	Ref RC128.2 Group Shaver_M
56	17:10:01	20241107-1637-B400_B.14-56	10	H1_Quant_D1_25s_Day	j03696rc	+	+	-	+	+	+	+	Ref RC128.1 Group Shaver_M
55	17:08:23	20241107-1608-B400_B.14-55	12	B11_NoCPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-NHCRu Group Larrosa_I 3F5FPhIm NHC test	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 'CD3CN' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/z61799af/nmr/20241107-1608-B400_B.14-55/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/z61799af/nmr/20241107-1608-B400_B.14-55/12/pdata/1/peaks!
55	17:04:38	20241107-1608-B400_B.14-55	11	F19_CPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-NHCRu Group Larrosa_I 3F5FPhIm NHC test	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
55	17:00:28	20241107-1608-B400_B.14-55	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-NHCRu Group Larrosa_I 3F5FPhIm NHC test
54	16:58:38	20241107-1606-B400_B.14-54	12	F19_NoCPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-CAACRu Group Larrosa_I 2Me5FCAAC Ru test	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
54	16:54:04	20241107-1606-B400_B.14-54	11	F19_CPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-CAACRu Group Larrosa_I 2Me5FCAAC Ru test	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
54	16:48:46	20241107-1606-B400_B.14-54	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-CAACRu Group Larrosa_I 2Me5FCAAC Ru test
53	16:43:29	20241107-1602-B400_B.14-53	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 30.3 Group Procter_D
52	16:39:15	20241107-1602-B400_B.14-52	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 30.2 Group Procter_D
51	16:34:19	20241107-1602-B400_B.14-51	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 30.1 Group Procter_D
50	16:29:43	20241107-1601-B400_B.14-50	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
49	16:25:10	20241107-1552-B400_B.14-49	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-394 Group DeBo_G
48	16:20:27	20241107-1551-B400_B.14-48	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-tNG-III-391_30c Group DeBo_G
47	16:15:41	20241107-1544-B400_B.14-47	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB185 Group Crisenza_G
46	16:11:11	20241107-1535-B400_B.14-46	10	H1_Day	y38246dt	+	+	-	+	+	+	+	Ref GDB-DT-831-4h Group DeBo_G GDB-DT-831-4h
45	16:06:53	20241107-1500-B400_B.14-45	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D12t0 Group Gibson_M
44	16:02:28	20241107-1500-B400_B.14-44	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C12t0 Group Gibson_M
43	15:58:19	20241107-1500-B400_B.14-43	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B12t0 Group Gibson_M
42	15:56:08	20241107-1514-B400_B.14-42	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-28c1fr12-14 Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
42	15:51:26	20241107-1514-B400_B.14-42	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-28c1fr12-14 Group Trowbridge_A
41	15:49:19	20241107-1514-B400_B.14-41	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-28c1fr8-10 Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
41	15:44:17	20241107-1514-B400_B.14-41	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-28c1fr8-10 Group Trowbridge_A
40	15:42:07	20241107-1514-B400_B.14-40	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-28c1fr3-4 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
40	15:37:45	20241107-1514-B400_B.14-40	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-28c1fr3-4 Group Trowbridge_A
39	15:33:27	20241107-1500-B400_B.14-39	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A12t0 Group Gibson_M
38	15:29:12	20241107-1500-B400_B.14-38	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H11t0 Group Gibson_M
37	15:24:58	20241107-1500-B400_B.14-37	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G11t0 Group Gibson_M
36	15:21:53	20241107-1455-B400_B.14-36	10	P31_CPD_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 PPh3O in dioxane Group Mehta_M
35	15:16:46	20241107-1447-B400_B.14-35	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
34	15:11:47	20241107-1441-B400_B.14-34	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg93 big pdtxx Group Webb_S
33	15:07:19	20241107-1443-B400_B.14-33	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ278_VAC Group Procter_D
32	15:02:49	20241107-1443-B400_B.14-32	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ259_REC Group Procter_D
31	14:58:11	20241107-1442-B400_B.14-31	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1652c Group Procter_D
30	14:53:29	20241107-1441-B400_B.14-30	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg93sm big Group Webb_S
29	14:48:44	20241107-1440-B400_B.14-29	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg93 small sm Group Webb_S
28	14:43:40	20241107-1440-B400_B.14-28	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg93 4 6 small pdt Group Webb_S
27	14:29:50	20241107-1411-B400_B.14-27	11	H1_Night128	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI845-polymer-after-Et2O-wash Group DeBo_G
31	14:25:19	20241107-1353-B400_B.14-31	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F11t0 Group Gibson_M
30	14:21:15	20241107-1353-B400_B.14-30	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E11t0 Group Gibson_M
29	14:17:02	20241107-1353-B400_B.14-29	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D11t0 Group Gibson_M
27	14:12:44	20241107-1411-B400_B.14-27	10	H1_Day	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI845-polymer-after-Et2O-wash Group DeBo_G
26	14:08:32	20241107-1405-B400_B.14-26	10	H1_Day	j20588jh	+	+	-	+	+	+	+	Ref JH-DW-32.01.1-DippZnAlCl ethyl iodide Group Willcox_D After addn
25	14:04:22	20241107-1353-B400_B.14-25	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C11t0 Group Gibson_M
24	14:00:10	20241107-1353-B400_B.14-24	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B11t0 Group Gibson_M
23	13:55:51	20241107-1353-B400_B.14-23	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A11t0 Group Gibson_M
21	13:19:40	20241107-1317-B400_B.14-21	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg013f5-9 Group Crisenza_G
19	13:15:05	20241107-1314-B400_B.14-19	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-B Group Procter_D
18	12:33:35	20241107-1209-B400_B.14-15	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC62C Group Larrosa_I
14	12:29:06	20241107-1209-B400_B.14-14	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC62B Group Larrosa_I
13	12:24:32	20241107-1209-B400_B.14-13	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC62A Group Larrosa_I
12	12:19:57	20241107-1143-B400_B.14-12	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-368-(b) Group Greaney_M
11	12:15:24	20241107-1143-B400_B.14-11	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-368-(a) Group Greaney_M
10	12:10:36	20241107-1143-B400_B.14-10	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-367-(b) Group Greaney_M
9	12:07:11	20241107-1139-B400_B.14-9	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC62F 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/20241107-1139-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/20241107-1139-B400_B.14-9/10/pdata/1/peaks!
8	12:03:47	20241107-1139-B400_B.14-8	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC62E 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/20241107-1139-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/20241107-1139-B400_B.14-8/10/pdata/1/peaks!
7	12:00:12	20241107-1139-B400_B.14-7	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC62D 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/20241107-1139-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/20241107-1139-B400_B.14-7/10/pdata/1/peaks!
5	11:55:35	20241107-1141-B400_B.14-5	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-367-(a) Group Greaney_M
4	11:39:01	20241107-1121-B400_B.14-4	11	C13_CPD_Night256	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-441-ac Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	11:36:02	20241107-1126-B400_B.14-5	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 535 prod dppf mes Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	11:31:54	20241107-1126-B400_B.14-5	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 535 prod dppf mes Group Larrosa_I
4	11:27:33	20241107-1121-B400_B.14-4	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-441-ac Group Procter_D
3	11:23:37	20241107-1115-B400_B.14-3	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ284_C Group Procter_D
2	11:19:37	20241107-1115-B400_B.14-2	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ284_B Group Procter_D
1	11:15:12	20241107-1114-B400_B.14-1	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ284_A Group Procter_D
15	10:48:38	20241104-1557-B400_B.14-15	13	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-588 NaHMDS + 15-C-5 Group James_M
11	10:44:29	20241107-1020-B400_B.14-11	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-587 KHMDS (2.0 equiv.) Group James_M
10	10:40:30	20241107-1019-B400_B.14-10	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-586 Am (2.0 equiv.) Group James_M
9	10:36:10	20241107-1018-B400_B.14-9	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-585 1:1:1 2.0 equiv. Group James_M
8	10:27:24	20241107-1007-B400_B.14-8	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM709-2 Group Bures_J Same as BM709-1 but mixed (Pretty sure I didn't mix before)
7	10:22:40	20241107-0951-B400_B.14-7	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-065-A F6-20 Group Procter_D
5	10:18:16	20241107-0951-B400_B.14-5	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-068-B Group Procter_D
4	10:13:41	20241107-0950-B400_B.14-4	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-068-A Group Procter_D
3	10:05:03	20241107-0945-B400_B.14-3	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM705-2 Group Bures_J
2	09:56:22	20241107-0945-B400_B.14-2	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM705-1 Group Bures_J
1	09:46:48	20241107-0945-B400_B.14-1	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM709 Group Bures_J
10	09:28:39	20241107-0923-B400_B.14-10	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-20h Group James_M
9	09:24:04	20241107-0923-B400_B.14-9	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-20h Group James_M
27	08:56:18	20241106-1404-B400_B.14-27	11	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-391 Group DeBo_G
12	08:49:08	20241107-0848-B400_B.14-12	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-069A.2 Group Riddell_I
57	08:24:17	20241107-0822-B400_B.14-57	10	H1_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-1to5D2OtoMeOD Group Riddell_I
48	08:04:05	20241107-0745-B400_B.14-48	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1407-9 MeOH-washed polymer - Basic CDCl3 Group DeBo_G
44	07:50:00	20241107-0744-B400_B.14-44	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1407-8 MeOH-washed polymer - Basic CDCl3 Group DeBo_G
43	07:45:12	20241107-0743-B400_B.14-43	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1475 Crude after workup - Basic CDCl3 Group DeBo_G
26	23:49:21	20241106-2027-B400_B.14-26	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-118 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	23:34:56	20241106-2027-B400_B.14-26	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-118 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	23:30:16	20241106-2027-B400_B.14-26	10	H1_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-118 Group Procter_D
5	23:15:51	20241106-2012-B400_B.14-5	11	C13_CPD_Night256	u36788yy	-	+	-	-	-	+	+	Ref 1.8N3Aib4OtBu Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	23:11:04	20241106-2012-B400_B.14-5	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.8N3Aib4OtBu Group Webb_S
54	23:06:48	20241106-1831-B400_B.14-54	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241106-2 Group Greaney_M
53	23:02:01	20241106-1831-B400_B.14-53	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241106-1 Group Greaney_M
48	22:50:09	20241106-1755-B400_B.14-48	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-211-filtrate Group Webb_S
48	22:38:23	20241106-1755-B400_B.14-48	12	H1_Night128	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-211-filtrate Group Webb_S
48	22:30:16	20241106-1755-B400_B.14-48	11	H1_COSY_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-211-filtrate Group Webb_S
47	22:18:26	20241106-1755-B400_B.14-47	13	H1_COSY_HiRes_Night	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-211-ppt Group Webb_S
47	22:04:32	20241106-1755-B400_B.14-47	12	H1_Night128	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-211-ppt Group Webb_S
43	22:00:03	20241106-2102-B400_B.14-43	10	H1_Day	r25963ar	+	+	-	+	+	+	+	Ref 4-tBuQuinNHC_AuCCDABNA Group Romanov_A 4-tBuQuinNHC_AuCCDABNA
41	21:36:18	20241106-1718-B400_B.14-41	14	H1_C13_HSQCed_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-07-099 Group James_M	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
41	21:17:55	20241106-1718-B400_B.14-41	13	H1_C13_HMBC_US_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-07-099 Group James_M
41	21:15:43	20241106-1718-B400_B.14-41	12	H1_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-07-099 Group James_M
41	21:03:52	20241106-1718-B400_B.14-41	11	H1_COSY_HiRes_Night	w52164bc	-	+	-	-	-	+	+	Ref BC-07-099 Group James_M
41	20:46:49	20241106-1718-B400_B.14-41	10	C13_CPD_Night256	w52164bc	+	+	-	+	+	+	+	Ref BC-07-099 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	20:42:18	20241106-1702-B400_B.14-52	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-4h Group James_M
51	20:37:48	20241106-1608-B400_B.14-51	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-90 Group James_M
50	20:33:05	20241106-1608-B400_B.14-50	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-60 Group James_M
25	20:29:04	20241106-1159-B400_B.14-25	11	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 5 later Group Gibson_M
24	20:25:02	20241106-1158-B400_B.14-24	11	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 3.4 k later Group Gibson_M
23	20:20:59	20241106-1157-B400_B.14-23	11	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 2k later Group Gibson_M
21	20:16:32	20241106-1157-B400_B.14-21	11	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 1k later Group Gibson_M
16	19:59:34	20241105-1525-B400_B.14-16	13	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241007-3a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15	19:42:15	20241104-1557-B400_B.14-15	12	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241007-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
57	19:40:13	20241106-0823-B400_B.14-57	12	H1_NOESY_US_Night	m14269jw	+	-	-	-	-	-	-	Ref IR-JW-2067-E-1to5D2OMeOD Group Riddell_I
56	18:53:46	20241106-0822-B400_B.14-56	12	H1_NOESY_US_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-H Group Riddell_I
48	18:49:46	20241106-1755-B400_B.14-48	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-211-filtrate Group Webb_S
47	18:43:27	20241106-1755-B400_B.14-47	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-211-ppt Group Webb_S
47	18:38:56	20241106-1755-B400_B.14-47	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-211-ppt Group Webb_S
46	18:34:04	20241106-1607-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-120 Group James_M
45	18:29:33	20241106-1607-B400_B.14-45	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-90 Group James_M
44	18:24:49	20241106-1607-B400_B.14-44	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-60 Group James_M
43	18:20:35	20241106-1358-B400_B.14-43	11	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-350-bis Group DeBo_G
42	18:18:10	20241106-1737-B400_B.14-42	11	F19_CPD_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-451-ac Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
42	18:13:24	20241106-1737-B400_B.14-42	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-451-ac Group Procter_D
40	18:08:35	20241106-1606-B400_B.14-40	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-120 Group James_M
39	18:03:48	20241106-1606-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-90 Group James_M
38	17:59:02	20241106-1606-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-60 Group James_M
37	17:54:10	20241106-1717-B400_B.14-37	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-01-584 P1 F10-24 Group James_M
36	17:49:55	20241106-1716-B400_B.14-36	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh sm retest 3 Group Trowbridge_A
35	17:45:10	20241106-1715-B400_B.14-35	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref 3-25chloroc1 Group Trowbridge_A
34	17:39:44	20241106-1726-B400_B.14-34	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RS-01 After washing Group DeBo_G
33	17:35:16	20241106-1605-B400_B.14-33	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-45 Group James_M
32	17:30:18	20241106-1605-B400_B.14-32	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-30 Group James_M
31	17:27:33	20241106-1657-B400_B.14-31	11	F19_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln47-4 metathesis Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
31	17:23:14	20241106-1657-B400_B.14-31	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln47-4 metathesis Group Larrosa_I
30	17:21:00	20241106-1657-B400_B.14-30	11	F19_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln47-3 metathesis Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
30	17:16:43	20241106-1657-B400_B.14-30	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln47-3 metathesis Group Larrosa_I
29	17:12:44	20241106-1656-B400_B.14-29	11	F19_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln47-1 metathesis Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
29	17:07:54	20241106-1656-B400_B.14-29	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln47-1 metathesis Group Larrosa_I
28	17:03:08	20241106-1404-B400_B.14-28	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-45 Group James_M
27	16:58:17	20241106-1404-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-30 Group James_M
26	16:53:11	20241106-1404-B400_B.14-26	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-20 Group James_M
17	16:50:11	20241106-1558-B400_B.14-17	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref CeN"3 Group Liddle_S
14	16:45:35	20241106-1403-B400_B.14-14	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-15 Group James_M
13	16:41:04	20241106-1403-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-10 Group James_M
12	16:36:01	20241106-1403-B400_B.14-12	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-5 Group James_M
11	16:31:35	20241106-1458-B400_B.14-11	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-13fr3-4 Group Trowbridge_A
10	16:24:25	20241106-1440-B400_B.14-10	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref CO-CO2 -1.0 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	16:15:52	20241106-1440-B400_B.14-9	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref CO-CO2 -0.9 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8	16:11:01	20241106-1604-B400_B.14-8	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-323-3h Group James_M
7	16:06:31	20241106-1603-B400_B.14-7	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-3h Group James_M
5	16:01:36	20241106-1402-B400_B.14-5	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-20 Group James_M
4	15:56:22	20241106-1457-B400_B.14-4	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-13c1fr7-13 Group Trowbridge_A
3	15:54:31	20241106-1448-B400_B.14-3	11	F19_NoCPD_Day	u50028ip	-	+	-	-	-	+	+	Ref DSquaramide white 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
3	15:50:26	20241106-1448-B400_B.14-3	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref DSquaramide white Group Larrosa_I
2	15:46:12	20241106-1448-B400_B.14-2	11	F19_NoCPD_Day	u50028ip	-	+	-	-	-	+	+	Ref DSquaramide grey 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
2	15:41:51	20241106-1448-B400_B.14-2	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref DSquaramide grey Group Larrosa_I
1	15:37:07	20241106-1336-B400_B.14-1	10	H1_Day	w55864co	+	+	-	+	+	+	+	Ref COM3_3crude Group Larrosa_I
60	15:32:37	20241106-1401-B400_B.14-60	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-5 Group James_M
59	15:27:49	20241106-1401-B400_B.14-59	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-10 Group James_M
58	15:23:06	20241106-1401-B400_B.14-58	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-322-5 Group James_M
55	15:18:24	20241106-1446-B400_B.14-55	10	F19_CPD_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-220c 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
54	15:13:36	20241106-1446-B400_B.14-54	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-217cn Group Greaney_M
53	15:08:50	20241106-1416-B400_B.14-50	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-121 Group Procter_D
52	15:03:45	20241106-1400-B400_B.14-52	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-45 Group James_M
51	14:58:59	20241106-1400-B400_B.14-51	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-30 Group James_M
50	14:54:11	20241106-1359-B400_B.14-50	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-20 Group James_M
49	14:49:15	20241106-1416-B400_B.14-49	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-120 Group Procter_D
48	14:43:39	20241106-1412-B400_B.14-48	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-22a repeat Group Trowbridge_A
47	14:38:27	20241106-1412-B400_B.14-47	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref smtest Group Trowbridge_A
46	14:33:18	20241106-1359-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-15 Group James_M
45	14:28:50	20241106-1359-B400_B.14-45	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-10 Group James_M
44	14:23:53	20241106-1359-B400_B.14-44	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-5 Group James_M
43	14:19:30	20241106-1358-B400_B.14-43	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-069 Group Riddell_I
42	14:15:01	20241106-1357-B400_B.14-42	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-068 2 Group Riddell_I
41	14:10:31	20241106-1356-B400_B.14-41	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-066 Group Procter_D
40	14:06:14	20241106-1356-B400_B.14-40	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-067 Group Procter_D
39	14:01:44	20241106-1323-B400_B.14-39	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref SE109 Group Crisenza_G
38	13:58:40	20241106-1320-B400_B.14-38	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref PrN"3 Group Liddle_S
37	13:55:29	20241106-1320-B400_B.14-37	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref LaN"3 Group Liddle_S
36	13:51:00	20241106-1317-B400_B.14-36	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-077-P1 Group Trowbridge_A
35	13:46:37	20241106-1254-B400_B.14-35	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.3(2)NH2Aib4OtBu Group Webb_S
34	13:46:21	20241106-1234-B400_B.14-34	10	H1_Day	a60960ax	-	-	-	-	-	-	-	Ref ax_371 Group Keerthi_A
33	13:44:16	20241106-1229-B400_B.14-33	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref ni pyr 1 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1229-B400_B.14-33/13/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1229-B400_B.14-33/13/pdata/1/peaks!
33	13:42:06	20241106-1229-B400_B.14-33	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref ni pyr 1 Group Larrosa_I
33	13:34:43	20241106-1229-B400_B.14-33	11	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref ni pyr 1 Group Larrosa_I
32	13:32:38	20241106-1229-B400_B.14-32	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref cu pyr 1 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1229-B400_B.14-32/13/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1229-B400_B.14-32/13/pdata/1/peaks!
32	13:30:16	20241106-1229-B400_B.14-32	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref cu pyr 1 Group Larrosa_I
32	13:27:19	20241106-1229-B400_B.14-32	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref cu pyr 1 Group Larrosa_I
32	13:24:03	20241106-1229-B400_B.14-32	10	H1_Day	r64579jc	+	+	-	+	-	+	+	Ref cu pyr 1 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/r64579jc/nmr/20241106-1229-B400_B.14-32/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1229-B400_B.14-32/10/pdata/1/peaks!
31	13:21:15	20241106-1228-B400_B.14-31	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 533 ph Group Larrosa_I
31	13:18:16	20241106-1228-B400_B.14-31	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 533 ph Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1228-B400_B.14-31/10/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241106-1228-B400_B.14-31/10/pdata/1/peaks!
30	13:14:00	20241106-1225-B400_B.14-30	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-067 dryness check Group Riddell_I
29	13:08:50	20241106-1218-B400_B.14-29	10	H1_Day	y38246dt	+	+	-	+	+	+	+	Ref GDB-DT-822-61-76 Group DeBo_G GDB-DT-822-61-76
28	13:03:54	20241106-1211-B400_B.14-28	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB060_wash Group Procter_D
27	12:58:15	20241105-1541-B400_B.14-27	11	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-22b Group Trowbridge_A
26	12:52:36	20241105-1541-B400_B.14-26	11	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-22a Group Trowbridge_A
25	12:48:33	20241106-1159-B400_B.14-25	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 5 Group Gibson_M
24	12:44:16	20241106-1158-B400_B.14-24	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 3.4 k Group Gibson_M
23	12:39:33	20241106-1157-B400_B.14-23	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 2k Group Gibson_M
22	12:36:12	20241104-0808-B400_B.14-22	12	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 533 me 2 Group Larrosa_I
22	12:32:20	20241104-0808-B400_B.14-22	11	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 533 me 2 Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241104-0808-B400_B.14-22/11/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241104-0808-B400_B.14-22/11/pdata/1/peaks!
21	12:28:03	20241106-1157-B400_B.14-21	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg au peg 1k Group Gibson_M
20	12:24:02	20241106-1157-B400_B.14-20	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg peg 5k Group Gibson_M
19	12:19:53	20241106-1156-B400_B.14-19	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg peg 3.4k Group Gibson_M
18	12:15:35	20241106-1156-B400_B.14-18	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref sg peg 2k Group Gibson_M
17	12:11:25	20241106-1156-B400_B.14-17	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref Sg PEg 1k Group Gibson_M
14	11:54:20	20241105-1522-B400_B.14-14	12	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241007-4a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	11:50:07	20241106-0741-B400_B.14-3	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C10t0 Group Gibson_M
2	11:45:57	20241106-0741-B400_B.14-2	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B10t0 Group Gibson_M
1	11:41:33	20241106-0741-B400_B.14-1	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A10t0 Group Gibson_M
20	11:23:04	20241106-1055-B400_B.14-20	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1388-A Group Larrosa_I
19	11:18:54	20241106-1048-B400_B.14-19	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-080B Group Trowbridge_A
18	11:14:30	20241106-1048-B400_B.14-18	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-080A Group Trowbridge_A
17	11:10:14	20241106-1045-B400_B.14-17	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln48-2 1d Group Larrosa_I
16	11:05:08	20241105-1525-B400_B.14-16	12	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241007-3a Group Greaney_M
15	11:00:22	20241104-1557-B400_B.14-15	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241007-2a Group Greaney_M
14	10:55:39	20241105-1522-B400_B.14-14	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241007-4a Group Greaney_M
13	10:49:44	20241106-1041-B400_B.14-13	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dt92 1617 Group Webb_S
12	10:43:46	20241106-1040-B400_B.14-12	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dt92 1013 Group Webb_S
11	10:33:09	20241106-1021-B400_B.14-11	10	H1_Quant_D1_25s_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC61F3 Group Larrosa_I
10	10:22:21	20241106-1021-B400_B.14-10	10	H1_Quant_D1_25s_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC61C3 Group Larrosa_I
9	10:18:10	20241105-1512-B400_B.14-9	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F10t0 Group Gibson_M
8	10:13:59	20241105-1512-B400_B.14-8	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E10t0 Group Gibson_M
7	10:09:35	20241105-1512-B400_B.14-7	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D10t0 Group Gibson_M
18	10:01:01	20241106-1000-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-447-ac Group Procter_D
4	09:50:12	20241106-0935-B400_B.14-4	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-23b Group Trowbridge_A
60	09:45:18	20241106-0934-B400_B.14-60	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-23a Group Trowbridge_A
59	09:40:39	20241106-0934-B400_B.14-59	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-23d Group Trowbridge_A
58	09:35:46	20241106-0934-B400_B.14-58	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-23c Group Trowbridge_A
54	09:29:10	20241106-0928-B400_B.14-54	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-391-60c Group DeBo_G
49	09:17:06	20241106-0916-B400_B.14-49	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065K Group Riddell_I
5	09:08:44	20241106-0903-B400_B.14-5	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-366B Group Procter_D
4	09:04:09	20241106-0903-B400_B.14-4	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-366A Group Procter_D
59	08:51:11	20241106-0842-B400_B.14-59	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Exo after night in acetone - Acetone-d6 Group DeBo_G
58	08:46:48	20241106-0842-B400_B.14-58	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Endo after night in acetone - Acetone-d6 Group DeBo_G
57	08:42:15	20241106-0823-B400_B.14-57	11	H1_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-1to5D2OMeOD Group Riddell_I
56	08:37:36	20241106-0822-B400_B.14-56	11	H1_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-H Group Riddell_I
57	08:32:11	20241106-0823-B400_B.14-57	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-1to5D2OMeOD Group Riddell_I	lock: No status change after 'LOCK on'. -> aborted!
56	08:27:43	20241106-0822-B400_B.14-56	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-H Group Riddell_I
55	08:23:13	20241106-0820-B400_B.14-55	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2072 Group Riddell_I
11	08:14:08	20241106-0742-B400_B.14-11	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Mono Slat Squaramide DPEN Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
11	08:09:52	20241106-0742-B400_B.14-11	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Mono Slat Squaramide DPEN Group Larrosa_I
10	08:05:05	20241106-0742-B400_B.14-10	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Bis IMINE DPEN 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
10	08:00:52	20241106-0742-B400_B.14-10	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Bis IMINE DPEN Group Larrosa_I
3	07:54:07	20241106-0741-B400_B.14-3	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Imine Squaramide FMES 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
3	07:49:51	20241106-0741-B400_B.14-3	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Imine Squaramide FMES Group Larrosa_I
2	07:45:47	20241106-0741-B400_B.14-2	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Di DPEN Group Larrosa_I
1	07:41:38	20241106-0741-B400_B.14-1	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Boornonic Salt 2nd Frac Group Larrosa_I
51	22:50:18	20241105-2116-B400_B.14-51	13	F19_NoCPD_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-273b Group Webb_S	sref: NUCLEUS '19F' not 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	22:47:42	20241105-2116-B400_B.14-51	12	F19_CPD_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-273b Group Webb_S	sref: NUCLEUS '19F' not 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	22:41:24	20241105-2116-B400_B.14-51	11	H1_COSY_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-273b Group Webb_S
51	22:36:53	20241105-2116-B400_B.14-51	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-273b Group Webb_S
50	22:30:39	20241105-2116-B400_B.14-50	11	H1_COSY_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-272bF3 Group Webb_S
50	22:25:42	20241105-2116-B400_B.14-50	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-272bF3 Group Webb_S
49	22:11:16	20241105-1831-B400_B.14-49	11	C13_CPD_Night256	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-127-1a Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	21:57:14	20241105-1831-B400_B.14-49	10	H1_Night128	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-127-1a Group Procter_D
48	21:42:48	20241105-1831-B400_B.14-48	11	C13_CPD_Night256	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-090-3a Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48	21:28:54	20241105-1831-B400_B.14-48	10	H1_Night128	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-090-3a Group Procter_D
47	21:24:43	20241105-1804-B400_B.14-47	10	H1_Night	c46714th	+	+	-	+	+	+	+	Ref TH-276-004-P3 Group James_M
45	21:20:30	20241105-1804-B400_B.14-45	10	H1_Night	c46714th	+	+	-	+	+	+	+	Ref TH-276-002-P1 Group James_M
46	21:15:50	20241105-1804-B400_B.14-46	10	H1_Night	c46714th	+	+	-	+	+	+	+	Ref TH-276-003-P2 Group James_M
31	20:58:32	20241105-1640-B400_B.14-31	11	C13_CPD_Night256	z69889rb	+	+	-	+	+	+	+	Ref RB184C Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	20:41:17	20241105-1614-B400_B.14-28	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241104-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22	20:24:38	20241104-0808-B400_B.14-22	12	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241104-1a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
20	20:08:16	20241105-1528-B400_B.14-20	11	C13_CPD_Night256	m66419al	+	+	-	+	+	+	+	Ref ALWS3 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
19	19:51:45	20241105-1528-B400_B.14-19	11	C13_CPD_Night256	m66419al	+	+	-	+	+	+	+	Ref ALWS2 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	19:35:08	20241105-1528-B400_B.14-18	11	C13_CPD_Night256	m66419al	+	+	-	+	+	+	+	Ref ALWS1 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	19:17:24	20241105-1525-B400_B.14-16	11	C13_CPD_Night256	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-318-P Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	19:15:17	20241105-1404-B400_B.14-2	13	P31_NoCPD_Day	b50715cd	-	+	-	-	-	+	+	Ref DJO021 Group Goodwin_C DJO021 - [Y(TMP)2Bn2K(tol)] - d8-THF - 31P	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	19:12:37	20241105-1404-B400_B.14-2	12	P31_CPD_Day	b50715cd	-	+	-	-	-	+	+	Ref DJO021 Group Goodwin_C DJO021 - [Y(TMP)2Bn2K(tol)] - d8-THF - {1H}31P	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	19:10:24	20241105-1404-B400_B.14-2	11	H1_Day	b50715cd	-	+	-	-	-	+	+	Ref DJO021 Group Goodwin_C DJO021 - [Y(TMP)2Bn2K(tol)] - d8-THF - 1H
2	18:53:25	20241105-1404-B400_B.14-2	10	C13_CPD_Night256	b50715cd	+	+	-	+	+	+	+	Ref DJO021 Group Goodwin_C DJO021 - [Y(TMP)2Bn2K(tol)] - d8-THF - 13C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50	18:49:04	20241105-1836-B400_B.14-50	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref ethyl propiolate Group Greaney_M
44	18:42:46	20241105-1750-B400_B.14-44	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-210-2 Group Webb_S
44	18:38:27	20241105-1750-B400_B.14-44	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-210-2 Group Webb_S
43	18:32:10	20241105-1743-B400_B.14-43	11	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 530 crude 2 Group Larrosa_I
43	18:27:38	20241105-1743-B400_B.14-43	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 530 crude 2 Group Larrosa_I
42	18:22:06	20241105-1742-B400_B.14-42	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 B 40C 19F Group Mehta_M
41	18:14:31	20241105-1742-B400_B.14-41	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-046 A 40C 19F Group Mehta_M
40	18:08:15	20241105-1732-B400_B.14-40	11	H1_COSY_Day	b32507dt	-	+	-	-	-	+	+	Ref dtd146b Group Webb_S
40	18:03:46	20241105-1732-B400_B.14-40	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtd146b Group Webb_S
39	17:59:12	20241105-1721-B400_B.14-39	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-II-347-bis Group DeBo_G
38	17:55:16	20241105-1703-B400_B.14-38	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln47-2 Group Larrosa_I
37	17:51:07	20241105-1701-B400_B.14-37	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln47-4 Group Larrosa_I
36	17:46:53	20241105-1700-B400_B.14-36	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln47-3 Group Larrosa_I
35	17:42:34	20241105-1652-B400_B.14-35	10	H1_Day	y38246dt	+	+	-	+	+	+	+	Ref GDB-DT-822-Cr Group DeBo_G GDB-DT-822-Cr
34	17:37:39	20241105-1646-B400_B.14-34	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H69b (c) Group Larrosa_I
33	17:32:34	20241105-1646-B400_B.14-33	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H69a (c) Group Larrosa_I
32	17:28:02	20241105-1645-B400_B.14-32	10	H1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H70 (c) Group Larrosa_I
31	17:23:30	20241105-1640-B400_B.14-31	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB184C Group Crisenza_G
30	17:18:59	20241105-1639-B400_B.14-30	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB184B Group Crisenza_G
29	17:13:59	20241105-1635-B400_B.14-29	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Ipr urea Group Larrosa_I
28	17:08:57	20241105-1614-B400_B.14-28	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241104-2a Group Greaney_M
27	17:04:26	20241105-1541-B400_B.14-27	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 79ii Group Greaney_M
26	16:59:56	20241105-1541-B400_B.14-26	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 79i Group Greaney_M
25	16:57:40	20241105-1541-B400_B.14-25	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 78ii 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
25	16:52:57	20241105-1541-B400_B.14-25	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 78ii Group Greaney_M
24	16:50:24	20241105-1541-B400_B.14-24	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 78i 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
24	16:45:46	20241105-1541-B400_B.14-24	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 78i Group Greaney_M
23	16:38:21	20241105-1538-B400_B.14-22	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM700 Group Bures_J
22	16:33:36	20241104-0808-B400_B.14-22	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241104-1a Group Greaney_M
21	16:26:37	20241105-1538-B400_B.14-21	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM699 Group Bures_J
20	16:22:30	20241105-1528-B400_B.14-20	10	H1_Day	m66419al	+	+	-	+	+	+	+	Ref ALWS3 Group Other
19	16:18:17	20241105-1528-B400_B.14-19	10	H1_Day	m66419al	+	+	-	+	+	+	+	Ref ALWS2 Group Other
18	16:13:51	20241105-1528-B400_B.14-18	10	H1_Day	m66419al	+	+	-	+	+	+	+	Ref ALWS1 Group Other
17	16:09:22	20241105-1525-B400_B.14-17	10	H1_Day	e03178pd	+	+	-	+	+	+	+	Ref IL-pdl642.H Group Larrosa_I
16	16:04:28	20241105-1525-B400_B.14-16	10	H1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-318-P Group James_M
14	16:00:19	20241105-1522-B400_B.14-14	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-219-1b Group Greaney_M
13	15:55:19	20241105-1512-B400_B.14-13	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-38d Group Trowbridge_A
12	15:50:49	20241105-1521-B400_B.14-12	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-219-1a Group Greaney_M
11	15:46:17	20241105-1521-B400_B.14-11	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-217b Group Greaney_M
10	15:41:54	20241105-1521-B400_B.14-10	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-217a Group Greaney_M
9	15:36:49	20241105-1512-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-38c Group Trowbridge_A
8	15:31:41	20241105-1512-B400_B.14-8	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-38b Group Trowbridge_A
7	15:29:08	20241105-1512-B400_B.14-7	11	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-38a 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
7	15:23:25	20241105-1512-B400_B.14-7	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-38a Group Trowbridge_A
5	15:15:01	20241105-1504-B400_B.14-5	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1407-7 MeOH-washed polymer - Basic CDCl3 Group DeBo_G
4	15:10:38	20241105-1503-B400_B.14-4	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1476 Crude after workup - Basic CDCl3 Group DeBo_G
3	15:06:08	20241105-1502-B400_B.14-3	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH002HBPO-Ts P Group Greaney_M
1	14:54:38	20241105-1403-B400_B.14-1	12	H1_Quant_D1_25s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-13 Group Larrosa_I
1	14:11:05	20241105-1403-B400_B.14-1	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-13 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
1	14:04:26	20241105-1403-B400_B.14-1	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-13 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
53	13:51:56	20241105-1345-B400_B.14-53	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-121 f2-5 Group James_M
52	13:49:45	20241105-1344-B400_B.14-52	11	P31_Wide_Day	a15978el	-	+	-	-	-	+	+	Ref EL-03-121 f9-23 Group James_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
52	13:45:19	20241105-1344-B400_B.14-52	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-121 f9-23 Group James_M
51	13:38:54	20241105-1328-B400_B.14-51	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1475 Crude after workup - Basic CDCl3 Group DeBo_G
50	13:36:01	20241105-1319-B400_B.14-50	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 533 me Group Larrosa_I
50	13:32:53	20241105-1319-B400_B.14-50	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 533 me Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241105-1319-B400_B.14-50/10/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241105-1319-B400_B.14-50/10/pdata/1/peaks!
49	13:30:02	20241105-1319-B400_B.14-49	11	P31_Extrawide_Day	r64579jc	-	+	-	-	-	+	+	Ref 533 ph Group Larrosa_I
49	13:26:58	20241105-1319-B400_B.14-49	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 533 ph Group Larrosa_I	pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241105-1319-B400_B.14-49/10/pdata/1/peaks!, pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241105-1319-B400_B.14-49/10/pdata/1/peaks!
48	13:24:24	20241105-1318-B400_B.14-48	11	F19_CPD_Day	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-925 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
48	13:19:25	20241105-1318-B400_B.14-48	10	H1_Day	d47555aa	+	+	-	+	+	+	+	Ref DJP-ASA-925 Group Procter_D
47	13:14:47	20241105-1314-B400_B.14-47	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1384-A Group Larrosa_I
46	12:33:48	20241105-1221-B400_B.14-46	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM703 Group Bures_J
45	12:29:28	20241105-1212-B400_B.14-45	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-219-3 Group Greaney_M
44	12:24:58	20241105-1212-B400_B.14-44	10	H1_Day	m90460ad	+	+	-	+	+	+	+	Ref mfg-ad-219-2 Group Greaney_M
43	12:20:43	20241105-1207-B400_B.14-43	10	H1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-317-B Group James_M
42	12:16:08	20241105-1207-B400_B.14-42	10	H1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-317-SM+A Group James_M
41	12:11:36	20241105-1207-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-18h Group James_M
40	12:07:43	20241105-1154-B400_B.14-40	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB084 Group Procter_D
39	12:03:25	20241105-1154-B400_B.14-39	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB083 Group Procter_D
38	12:00:02	20241105-1137-B400_B.14-38	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC61F 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/20241105-1137-B400_B.14-38/10/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/20241105-1137-B400_B.14-38/10/pdata/1/peaks!
37	11:56:38	20241105-1137-B400_B.14-37	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC61E 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/20241105-1137-B400_B.14-37/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241105-1137-B400_B.14-37/10/pdata/1/peaks!
36	11:53:06	20241105-1137-B400_B.14-36	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	-	+	+	Ref ILAC61D 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/20241105-1137-B400_B.14-36/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/v73981ac/nmr/20241105-1137-B400_B.14-36/10/pdata/1/peaks!
32	11:48:27	20241105-1134-B400_B.14-32	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC61C Group Larrosa_I
31	11:44:44	20241105-1134-B400_B.14-31	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC61B Group Larrosa_I
30	11:40:43	20241105-1134-B400_B.14-30	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC61A Group Larrosa_I
29	11:36:36	20241105-1120-B400_B.14-29	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL093-crude Group Procter_D
28	11:32:17	20241105-1120-B400_B.14-28	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL092-crude Group Procter_D
27	11:29:14	20241105-1119-B400_B.14-27	11	P31_Wide_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-20 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
27	11:24:44	20241105-1119-B400_B.14-27	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-20 Group Trowbridge_A
26	11:20:25	20241105-1119-B400_B.14-26	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-17chlorohydrinc1 Group Trowbridge_A
25	11:15:21	20241105-1041-B400_B.14-25	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16302Cr Group Crisenza_G
24	11:11:03	20241105-1041-B400_B.14-24	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB6005 Group Crisenza_G
23	11:06:33	20241105-1006-B400_B.14-23	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_M-CYCLO Group Other
21	11:02:03	20241105-1006-B400_B.14-21	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_DCM Group Other
20	10:57:34	20241105-1004-B400_B.14-20	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_DE Group Other
19	10:53:05	20241105-1004-B400_B.14-19	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_THF Group Other
18	10:48:22	20241105-1003-B400_B.14-18	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_DME Group Other
17	10:43:54	20241105-1002-B400_B.14-17	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_ACN Group Other
16	10:39:30	20241105-1001-B400_B.14-16	10	H1_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH_SPS_HEX Group Other
12	10:35:17	20241105-1021-B400_B.14-12	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref PEG 1K SG Group Gibson_M
11	10:30:17	20241105-0959-B400_B.14-11	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ277 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
11	10:25:48	20241105-0959-B400_B.14-11	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ277 Group Procter_D
10	10:19:30	20241105-0959-B400_B.14-10	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ275 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
10	10:15:06	20241105-0959-B400_B.14-10	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ275 Group Procter_D
9	10:10:34	20241105-0957-B400_B.14-9	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-065-B Group Procter_D
8	10:06:07	20241105-0957-B400_B.14-8	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-065-A Group Procter_D
7	10:01:50	20241105-0953-B400_B.14-7	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1657c Group Procter_D
4	09:56:58	20241105-0952-B400_B.14-4	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1656c Group Procter_D
3	09:52:15	20241105-0942-B400_B.14-3	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-117 Group Procter_D
2	09:46:52	20241105-0942-B400_B.14-2	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-116 Group Procter_D
1	09:42:22	20241105-0942-B400_B.14-1	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-123-4a Group Procter_D
18	09:35:10	20241105-0934-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-442-ac Group Procter_D
53	09:24:17	20241105-0919-B400_B.14-53	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Naftaridine DI carbene Mes Group Larrosa_I
52	09:19:35	20241105-0914-B400_B.14-52	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-H Group Riddell_I
51	09:15:23	20241105-0914-B400_B.14-51	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-100uLD2O Group Riddell_I
50	08:03:17	20241105-0745-B400_B.14-50	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1473 Prep Main Band - Acetone-d6 Group DeBo_G
49	07:59:03	20241105-0745-B400_B.14-49	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Column F10-12 - Acetone-d6 Group DeBo_G
45	07:54:42	20241105-0744-B400_B.14-45	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Column F9 - Acetone-d6 Group DeBo_G
44	07:49:59	20241105-0744-B400_B.14-44	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Column F7 - Acetone-d6 Group DeBo_G
43	07:45:40	20241105-0743-B400_B.14-43	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Column F5-6 - Acetone-d6 Group DeBo_G
48	07:18:43	20241104-2225-B400_B.14-48	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-265b T4 Group Webb_S
35	07:04:25	20241104-2225-B400_B.14-35	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-265b T2 Group Webb_S
34	06:50:21	20241104-2224-B400_B.14-34	10	H1_Night128	m30316hz	+	+	-	+	+	+	+	Ref HZ-265b T1 Group Webb_S
33	06:44:04	20241104-2224-B400_B.14-33	11	H1_COSY_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-272b N3Aib4PhSerOMe Group Webb_S
33	06:38:20	20241104-2224-B400_B.14-33	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-272b N3Aib4PhSerOMe Group Webb_S
36	06:23:46	20241104-2122-B400_B.14-36	11	C13_CPD_Night256	m09677nb	-	+	-	-	-	+	+	Ref phenyl vinyl sulphone Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	06:19:01	20241104-2122-B400_B.14-36	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref phenyl vinyl sulphone Group Greaney_M
16	06:16:52	20241104-2013-B400_B.14-16	13	H1_Quant_NS1_Day	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-316 with 18C6 Group James_M
16	06:02:20	20241104-2013-B400_B.14-16	12	C13_CPD_Night256	g23544jd	-	+	-	-	-	+	+	Ref MJJ-JDL-02-316 with 18C6 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	05:58:14	20241104-2013-B400_B.14-16	11	H1_Night	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-316 with 18C6 Group James_M
14	05:53:38	20241104-2013-B400_B.14-14	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-6h Group James_M
13	05:48:49	20241104-2013-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-6h Group James_M
32	05:30:10	20241104-1928-B400_B.14-32	16	H1_C13_HMBC_US_Night	u36788yy	-	+	-	-	-	+	+	Ref (z)-D-Ala-NH2(2) Group Webb_S
32	05:17:49	20241104-1928-B400_B.14-32	15	H1_C13_HSQC_US_Night	u36788yy	-	+	-	-	-	+	+	Ref (z)-D-Ala-NH2(2) Group Webb_S
32	05:15:36	20241104-1928-B400_B.14-32	13	H1_Night	u36788yy	-	+	-	-	-	+	+	Ref (z)-D-Ala-NH2(2) Group Webb_S
32	05:00:47	20241104-1928-B400_B.14-32	12	C13_CPD_Night256	u36788yy	-	+	-	-	-	+	+	Ref (z)-D-Ala-NH2(2) Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32	04:54:32	20241104-1928-B400_B.14-32	11	H1_COSY_Day	u36788yy	-	+	-	-	-	+	+	Ref (z)-D-Ala-NH2(2) Group Webb_S
32	04:49:23	20241104-1928-B400_B.14-32	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref (z)-D-Ala-NH2(2) Group Webb_S
53	04:44:22	20241104-1838-B400_B.14-53	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-30 Group James_M
52	04:39:33	20241104-1838-B400_B.14-52	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-20 Group James_M
47	04:34:49	20241104-1838-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-15 Group James_M
46	04:29:57	20241104-1838-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-10 Group James_M
45	04:25:26	20241104-1838-B400_B.14-45	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-5 Group James_M
42	04:20:57	20241104-1835-B400_B.14-42	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-30 Group James_M
41	04:16:28	20241104-1835-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-20 Group James_M
40	04:11:36	20241104-1834-B400_B.14-40	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-15 Group James_M
39	04:07:00	20241104-1834-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-10 Group James_M
38	04:01:52	20241104-1834-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-5 Group James_M
31	03:57:15	20241104-1829-B400_B.14-31	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-30 Group James_M
30	03:52:35	20241104-1829-B400_B.14-30	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-20 Group James_M
24	03:48:03	20241104-1827-B400_B.14-24	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-15 Group James_M
21	03:43:15	20241104-1827-B400_B.14-21	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-10 Group James_M
20	03:38:17	20241104-1827-B400_B.14-20	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-5 Group James_M
12	03:33:51	20241104-1820-B400_B.14-67	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=240 Group Procter_D
11	03:29:44	20241104-1820-B400_B.14-66	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=210 Group Procter_D
10	03:25:05	20241104-1820-B400_B.14-65	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=180 Group Procter_D
9	03:20:53	20241104-1820-B400_B.14-64	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=150 Group Procter_D
8	03:16:41	20241104-1820-B400_B.14-63	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=120 Group Procter_D
7	03:12:13	20241104-1820-B400_B.14-62	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=105 Group Procter_D
4	03:07:59	20241104-1820-B400_B.14-61	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=90 Group Procter_D
60	03:03:34	20241104-1820-B400_B.14-60	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=75 Group Procter_D
59	02:59:24	20241104-1820-B400_B.14-59	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=60 Group Procter_D
58	02:55:14	20241104-1820-B400_B.14-58	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=45 Group Procter_D
57	02:50:49	20241104-1820-B400_B.14-57	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=30 Group Procter_D
56	02:46:19	20241104-1820-B400_B.14-56	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=20 Group Procter_D
55	02:41:54	20241104-1820-B400_B.14-55	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=10 Group Procter_D
54	02:37:19	20241104-1820-B400_B.14-54	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-125-2-t=0 Group Procter_D
2	02:24:41	20241104-1502-B400_B.14-2	17	H1_C13_HSQC_US_Night	n60521sl	-	+	-	-	-	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T
2	02:10:30	20241104-1502-B400_B.14-2	16	B11_CPD_Night	n60521sl	-	+	-	-	-	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T	sref: NUCLEUS '11B' not defined for SOLVENT 'Acetone' 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/McDonald_T/data/n60521sl/nmr/20241104-1502-B400_B.14-2/16/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'Acetone' 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/McDonald_T/data/n60521sl/nmr/20241104-1502-B400_B.14-2/16/pdata/1/peaks!
2	01:58:35	20241104-1502-B400_B.14-2	15	H1_COSY_HiRes_Night	n60521sl	-	+	-	-	-	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T
2	01:56:23	20241104-1502-B400_B.14-2	14	H1_Night	n60521sl	-	+	-	-	-	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T
2	01:47:53	20241104-1502-B400_B.14-2	13	C13_DEPT90_Night	n60521sl	-	+	-	-	-	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	01:39:23	20241104-1502-B400_B.14-2	12	C13_DEPT135_Night	n60521sl	-	+	-	-	-	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	01:22:46	20241104-1502-B400_B.14-2	11	C13_CPD_Night256	n60521sl	+	+	-	+	+	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	01:11:00	20241104-1458-B400_B.14-1	16	H1_COSY_HiRes_Night	n60521sl	-	+	-	-	-	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T
1	00:58:37	20241104-1458-B400_B.14-1	15	H1_C13_HSQC_US_Night	n60521sl	-	+	-	-	-	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T
1	00:56:24	20241104-1458-B400_B.14-1	14	H1_Night	n60521sl	-	+	-	-	-	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T
1	00:47:55	20241104-1458-B400_B.14-1	13	C13_DEPT90_Night	n60521sl	-	+	-	-	-	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	00:39:26	20241104-1458-B400_B.14-1	12	C13_DEPT135_Night	n60521sl	-	+	-	-	-	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	00:22:37	20241104-1458-B400_B.14-1	11	C13_CPD_Night256	n60521sl	+	+	-	+	+	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	23:55:57	20241104-1416-B400_B.14-51	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref 0.005 M TCPP Group Kinloch_I	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20241104-1416-B400_B.14-51/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Kinloch_I/data/m02382ac/nmr/20241104-1416-B400_B.14-51/12/pdata/1/peaks!
51	23:40:45	20241104-1416-B400_B.14-51	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref 0.005 M TCPP Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	23:34:40	20241104-1416-B400_B.14-51	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref 0.005 M TCPP Group Kinloch_I
50	23:08:14	20241104-1416-B400_B.14-50	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref 0.01 M TCPP Group Kinloch_I	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
50	22:53:11	20241104-1416-B400_B.14-50	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref 0.01 M TCPP Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50	22:48:51	20241104-1416-B400_B.14-50	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref 0.01 M TCPP Group Kinloch_I
49	22:22:23	20241104-1416-B400_B.14-49	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref 0.5 M TCPP Group Kinloch_I	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
49	22:07:51	20241104-1416-B400_B.14-49	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref 0.5 M TCPP Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	22:03:45	20241104-1416-B400_B.14-49	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref 0.5 M TCPP Group Kinloch_I
48	21:55:53	20241104-1416-B400_B.14-48	12	H2_Night	m02382ac	-	-	-	-	-	+	+	Ref 1 M TCPP Group Kinloch_I	ATMA Select Nucleus failed
48	21:41:17	20241104-1416-B400_B.14-48	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref 1 M TCPP Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48	21:36:54	20241104-1416-B400_B.14-48	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref 1 M TCPP Group Kinloch_I
35	21:32:51	20241104-1240-B400_B.14-35	11	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref au sg g 5k after Group Gibson_M
34	21:27:41	20241104-1239-B400_B.14-34	11	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref au sg g2k after Group Gibson_M
33	21:10:37	20241104-1234-B400_B.14-33	11	C13_CPD_Night256	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007 IDT Group Turner_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	20:54:10	20241104-1202-B400_B.14-30	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241031-3a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	20:37:41	20241104-1202-B400_B.14-29	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241031-1a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
23	20:20:51	20241104-1200-B400_B.14-22	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241030-3a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22	20:03:45	20241104-0808-B400_B.14-22	12	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241030-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	19:58:06	20241104-1742-B400_B.14-3	16	F19_CPD_Day	j83970qc	-	+	-	-	-	+	+	Ref qc e493 p1 Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
3	19:39:42	20241104-1742-B400_B.14-3	15	H1_C13_HMBC_US_Night	j83970qc	-	+	-	-	-	+	+	Ref qc e493 p1 Group DeBo_G
3	19:27:18	20241104-1742-B400_B.14-3	14	H1_C13_HSQC_US_Night	j83970qc	-	+	-	-	-	+	+	Ref qc e493 p1 Group DeBo_G
3	19:25:05	20241104-1742-B400_B.14-3	13	H1_Night	j83970qc	-	+	-	-	-	+	+	Ref qc e493 p1 Group DeBo_G
3	19:13:10	20241104-1742-B400_B.14-3	12	H1_COSY_HiRes_Night	j83970qc	-	+	-	-	-	+	+	Ref qc e493 p1 Group DeBo_G
3	18:56:03	20241104-1742-B400_B.14-3	11	C13_CPD_Night256	j83970qc	+	+	-	+	+	+	+	Ref qc e493 p1 Group DeBo_G
16	18:51:32	20241104-1826-B400_B.14-16	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-5h Group James_M
14	18:46:58	20241104-1826-B400_B.14-14	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-5h Group James_M
13	18:42:21	20241104-1826-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-5h Group James_M
3	18:37:48	20241104-1742-B400_B.14-3	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e493 p1 Group DeBo_G
53	18:33:16	20241104-1611-B400_B.14-53	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-066 check Group Riddell_I
52	18:28:41	20241104-1609-B400_B.14-52	10	H1_Day	b14087dl	+	+	-	+	+	+	+	Ref AT-DL-05 3.0 Group Trowbridge_A
45	18:24:06	20241104-1722-B400_B.14-45	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-318-45min Group James_M
44	18:19:38	20241104-1722-B400_B.14-44	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-218-30deg 64 Group James_M
43	18:14:48	20241104-1722-B400_B.14-43	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-218-60deg start Group James_M
40	18:12:16	20241104-1803-B400_B.14-40	11	F19_CPD_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB081_19F Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
40	18:07:45	20241104-1803-B400_B.14-40	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB081 Group Procter_D
39	18:02:52	20241104-1720-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-218-60deg 30 Group James_M
38	17:58:24	20241104-1720-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-218-60deg 60 Group James_M
37	17:53:50	20241104-1720-B400_B.14-37	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-218-60deg 4h Group James_M
30	17:49:02	20241104-1719-B400_B.14-30	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-2h Group James_M
27	17:44:32	20241104-1719-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-2h Group James_M
26	17:39:42	20241104-1718-B400_B.14-26	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-319-2h Group James_M
25	17:33:23	20241104-1631-B400_B.14-25	11	H1_COSY_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-267b F3 Group Webb_S
25	17:27:57	20241104-1631-B400_B.14-25	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-267b F3 Group Webb_S
24	17:25:38	20241104-1630-B400_B.14-24	11	P31_CPD_Day	j40457bh	-	+	-	-	-	+	+	Ref 3-19c1 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
24	17:20:33	20241104-1630-B400_B.14-24	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref 3-19c1 Group Trowbridge_A
21	17:18:44	20241104-1622-B400_B.14-21	12	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 532 n2 Group Larrosa_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
21	17:16:59	20241104-1622-B400_B.14-21	11	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 532 n2 Group Larrosa_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
21	17:12:40	20241104-1622-B400_B.14-21	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 532 n2 Group Larrosa_I
20	17:10:52	20241104-1622-B400_B.14-20	12	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 532 degassed Group Larrosa_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
20	17:07:27	20241104-1622-B400_B.14-20	11	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 532 degassed Group Larrosa_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
20	17:03:11	20241104-1622-B400_B.14-20	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 532 degassed Group Larrosa_I
19	16:58:54	20241104-1621-B400_B.14-19	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 530 crude Group Larrosa_I
18	16:53:07	20241104-1608-B400_B.14-18	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide NH2 CF3 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
18	16:48:55	20241104-1608-B400_B.14-18	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide NH2 CF3 Group Larrosa_I
17	16:44:00	20241104-1557-B400_B.14-17	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-321-45min Group James_M
16	16:39:15	20241104-1557-B400_B.14-16	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-320-45min Group James_M
15	16:36:27	20241104-1557-B400_B.14-15	10	H1_Quant_NS1_Day	g23544jd	-	-	-	-	-	-	-	Ref MJJ-JDL-02-319-45min Group James_M
14	16:31:39	20241104-1555-B400_B.14-14	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB184 Group Crisenza_G
13	16:25:13	20241104-1549-B400_B.14-13	10	H1_WaterSupp_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF Group Jones_S EXP_61_4_3_D2O	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	16:18:34	20241104-1549-B400_B.14-12	10	H1_WaterSupp_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF Group Jones_S EXP_61_4_2_D2O	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	16:11:53	20241104-1547-B400_B.14-11	10	H1_WaterSupp_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF Group Jones_S EXP_61_4_1_D2O	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	16:07:02	20241104-1541-B400_B.14-10	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 77ii Group Greaney_M
9	16:02:30	20241104-1541-B400_B.14-9	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 77i Group Greaney_M
8	16:00:12	20241104-1538-B400_B.14-8	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 76ii 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
8	15:55:27	20241104-1538-B400_B.14-8	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 76ii Group Greaney_M
7	15:52:48	20241104-1538-B400_B.14-7	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 76i 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
7	15:48:31	20241104-1538-B400_B.14-7	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 76i Group Greaney_M
4	15:43:58	20241104-1533-B400_B.14-4	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-444-crude Group Procter_D
3	15:39:25	20241104-1532-B400_B.14-3	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-443-crude Group Procter_D
2	15:35:13	20241104-1502-B400_B.14-2	10	H1_Day	n60521sl	+	+	-	+	+	+	+	Ref DiI-F0 acetone-d6 Group McDonald_T
1	15:31:43	20241104-1458-B400_B.14-1	17	B11_CPD_Day	n60521sl	-	+	-	-	-	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T	sref: NUCLEUS '11B' not defined for SOLVENT 'Acetone' 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/McDonald_T/data/n60521sl/nmr/20241104-1458-B400_B.14-1/17/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'Acetone' 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/McDonald_T/data/n60521sl/nmr/20241104-1458-B400_B.14-1/17/pdata/1/peaks!
1	15:27:09	20241104-1458-B400_B.14-1	10	H1_Day	n60521sl	+	+	-	+	+	+	+	Ref DiO-f0 acetone-d6 Group McDonald_T
31	15:22:38	20241104-1520-B400_B.14-31	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-123-3b Group Procter_D
30	15:17:32	20241104-1510-B400_B.14-30	11	F19_Quant_D1_8s_Day	n60521sl	-	+	-	-	-	+	+	Ref Squaramide DIamine CF3 Group McDonald_T	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
30	15:13:16	20241104-1510-B400_B.14-30	10	H1_Day	n60521sl	+	+	-	+	+	+	+	Ref Squaramide DIamine CF3 Group McDonald_T
27	14:56:38	20241104-1202-B400_B.14-27	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241030-4a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32	14:52:27	20241104-1439-B400_B.14-32	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e494 p4 Group DeBo_G
31	14:48:04	20241104-1439-B400_B.14-31	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e494 p3 Group DeBo_G
30	14:45:56	20241104-1432-B400_B.14-30	11	P31_NoCPD_Day	a15978el	-	+	-	-	-	+	+	Ref EL-03-121e Group James_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
30	14:41:22	20241104-1432-B400_B.14-30	10	P31_CPD_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-121e Group James_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26	14:36:49	20241104-1431-B400_B.14-26	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-063 Group Procter_D
25	14:32:04	20241104-1427-B400_B.14-25	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-123-3a Group Procter_D
24	14:27:10	20241104-1422-B400_B.14-24	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
21	14:10:18	20241104-1200-B400_B.14-21	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241030-1a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47	14:08:28	20241104-1347-B400_B.14-47	11	H1_P31CPD_Day	a15978el	-	+	-	-	-	+	+	Ref EL-03-121e Group James_M
47	14:03:58	20241104-1347-B400_B.14-47	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-121e Group James_M
46	13:59:14	20241104-1347-B400_B.14-46	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-120e Group James_M
45	13:54:25	20241104-1336-B400_B.14-45	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-363-(b) Group Greaney_M
44	13:48:19	20241104-1336-B400_B.14-44	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-363-(a) Group Greaney_M
43	13:42:08	20241104-1332-B400_B.14-43	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref (z)D-Ala-NH2 Group Webb_S
42	13:36:55	20241104-1330-B400_B.14-42	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.3NH2AibOtBu Group Webb_S
41	13:32:31	20241104-1304-B400_B.14-41	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H1t40 Group Gibson_M
40	13:28:21	20241104-1304-B400_B.14-40	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-G1t40 Group Gibson_M
39	13:23:29	20241104-1255-B400_B.14-39	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 025 Group Webb_S
38	13:19:32	20241104-1249-B400_B.14-38	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref peg 5k sg Group Gibson_M
37	13:15:14	20241104-1249-B400_B.14-37	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref peg 2k sg Group Gibson_M
36	13:10:39	20241104-1244-B400_B.14-36	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-318-30deg 30 min Group James_M
35	13:06:44	20241104-1240-B400_B.14-35	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref au sg g 5k Group Gibson_M
34	13:02:26	20241104-1239-B400_B.14-34	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref au sg g2k Group Gibson_M
33	12:57:49	20241104-1234-B400_B.14-33	10	H1_Day	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007 IDT Group Turner_M
32	12:53:38	20241104-1206-B400_B.14-32	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-F1t40 Group Gibson_M
31	12:49:27	20241104-1206-B400_B.14-31	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-E1t40 Group Gibson_M
30	12:45:09	20241104-1206-B400_B.14-30	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-D1t40 Group Gibson_M
29	12:43:16	20241104-1202-B400_B.14-30	12	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241031-3a Group Greaney_M	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
29	12:39:12	20241104-1202-B400_B.14-30	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241031-3a Group Greaney_M
28	12:37:19	20241104-1202-B400_B.14-29	12	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241031-1a Group Greaney_M	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
28	12:33:06	20241104-1202-B400_B.14-29	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241031-1a Group Greaney_M
27	12:28:49	20241104-1202-B400_B.14-27	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241030-4a Group Greaney_M
26	12:24:31	20241104-1205-B400_B.14-26	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-C1t40 Group Gibson_M
25	12:20:20	20241104-1205-B400_B.14-25	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-B1t40 Group Gibson_M
24	12:16:08	20241104-1205-B400_B.14-24	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-A1t40 Group Gibson_M
23	12:12:04	20241104-1200-B400_B.14-22	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241030-3a Group Greaney_M
22	12:08:00	20241104-0808-B400_B.14-22	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241030-2a Group Greaney_M
21	12:03:43	20241104-1200-B400_B.14-21	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241030-1a Group Greaney_M
20	11:59:00	20241104-1158-B400_B.14-20	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-18c1 Group Trowbridge_A
17	11:45:06	20241104-1132-B400_B.14-17	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL087P Group Procter_D
16	11:41:04	20241104-1131-B400_B.14-16	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJp-YL091P Group Procter_D
15	11:36:33	20241104-1131-B400_B.14-15	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL090P Group Procter_D
14	11:31:53	20241104-1126-B400_B.14-14	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-H1t0 Group Gibson_M
13	11:27:45	20241104-1126-B400_B.14-13	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-3-G1t0 Group Gibson_M
12	11:22:53	20241104-1122-B400_B.14-12	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-imine Group Larrosa_I
22	11:19:08	20241104-0808-B400_B.14-22	10	H1_Day	mbdxkrn2	-	-	-	-	-	-	-	Ref GDB-RN1470 Mixture after ~1 week - Acetone-d6 Group DeBo_G
11	11:14:31	20241104-1110-B400_B.14-11	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref au sg final 2 day Group Gibson_M
10	11:10:24	20241104-1107-B400_B.14-10	10	H1_Day	j20588jh	+	+	-	+	+	+	+	Ref RC_DW_02_GaCp* Group Willcox_D Distilled
9	11:04:00	20241104-1052-B400_B.14-9	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide DPEN 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	10:59:51	20241104-1052-B400_B.14-9	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide DPEN Group Larrosa_I
8	10:57:26	20241104-1047-B400_B.14-8	11	P31_CPD_Day	j40457bh	-	+	-	-	-	+	+	Ref bh3-15c2deg 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
8	10:52:53	20241104-1047-B400_B.14-8	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-15c2deg Group Trowbridge_A
7	10:48:30	20241103-2043-B400_B.14-7	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 75i Group Greaney_M
6	10:48:21	20241103-2041-B400_B.14-6	10	H1_Day	m09677nb	x	-	-	-	-	-	-	Ref 74v Group Greaney_M	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.6'.
5	10:48:06	20241103-2041-B400_B.14-5	10	H1_Day	m09677nb	-	-	-	-	-	-	-	Ref 74iv Group Greaney_M
4	10:43:52	20241104-1041-B400_B.14-4	10	H1_Day	m38015rc	+	+	-	+	+	+	+	Ref RC-DW-02-GaCp* Group Willcox_D Distilled
3	10:40:49	20241104-1035-B400_B.14-3	11	F19_CPD_Day	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-927 col Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
3	10:36:17	20241104-1035-B400_B.14-3	10	H1_Day	d47555aa	+	+	-	+	+	+	+	Ref DJP-ASA-927 col Group Procter_D
2	10:31:28	20241104-1024-B400_B.14-2	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-118 f6-8 Group James_M
1	10:25:56	20241104-0822-B400_B.14-1	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Sqauramide DPEN 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
1	10:20:03	20241104-0822-B400_B.14-1	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Sqauramide DPEN Group Larrosa_I
22	08:09:18	20241104-0808-B400_B.14-22	10	H1_Day	mbdxkrn2	+	x	-	-	-	-	-	Ref GDB-RN1470 Mixture after ~1 week - Acetone-d6 Group DeBo_G	ATMA Select Nucleus failed, ATM Failed, Automation was stopped by user
7	21:15:39	20241103-2043-B400_B.14-7	10	H1_Day	m09677nb	+	x	-	-	-	-	-	Ref 75i Group Greaney_M	ATM Failed
6	21:14:48	20241103-2041-B400_B.14-6	10	H1_Day	m09677nb	+	x	-	-	-	-	-	Ref 74v Group Greaney_M	ATM Failed
5	21:13:01	20241103-2041-B400_B.14-5	10	H1_Day	m09677nb	-	-	-	-	-	-	-	Ref 74iv Group Greaney_M
4	21:10:48	20241103-2041-B400_B.14-4	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 74iii 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
4	21:06:29	20241103-2041-B400_B.14-4	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 74iii Group Greaney_M
3	21:04:11	20241103-2041-B400_B.14-3	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 74ii 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
3	20:59:39	20241103-2041-B400_B.14-3	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 74ii Group Greaney_M
2	20:56:25	20241103-2040-B400_B.14-2	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 74i 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
2	20:51:28	20241103-2040-B400_B.14-2	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 74i Group Greaney_M
1	20:43:00	20241103-1440-B400_B.14-1	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-112 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	20:28:34	20241103-1440-B400_B.14-1	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-112 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	20:23:51	20241103-1440-B400_B.14-1	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-112 Group Procter_D
16	17:03:24	20241103-1702-B400_B.14-16	10	H1_Day	r25963ar	+	+	-	+	+	+	+	Ref BiCAACAuCl Group Romanov_A BiCAACAuCl
3	15:37:11	20241103-1531-B400_B.14-3	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-438-p3 Group Procter_D
2	15:28:43	20241103-1440-B400_B.14-2	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-114 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	15:14:17	20241103-1440-B400_B.14-2	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-114 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	15:10:00	20241103-1440-B400_B.14-2	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-114 Group Procter_D
1	15:01:33	20241103-1440-B400_B.14-1	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-115 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	14:46:46	20241103-1440-B400_B.14-1	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-115 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	14:42:31	20241103-1440-B400_B.14-1	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-115 Group Procter_D
19	14:27:29	20241103-1422-B400_B.14-19	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-cp-bt Group Procter_D
18	14:22:48	20241103-1421-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-cy-bt Group Procter_D
28	13:43:35	20241103-1343-B400_B.14-28	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1643 Group Procter_D
25	09:00:00	20241030-1332-B400_B.14-25	16	P31_CPD_Night	m56540yz	-	+	-	-	-	+	+	Ref 3rd Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
25	08:55:54	20241030-1332-B400_B.14-25	15	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref 3rd Group Schroder_M
28	21:46:29	20241102-2146-B400_B.14-28	10	H1_Day	j99905tw	+	+	-	+	+	+	+	Ref 1 Group Yang_S
27	21:45:39	20241102-2145-B400_B.14-27	10	H1_Day	j99905tw	x	-	-	-	-	-	-	Ref 1 Group Yang_S	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.27'.
25	19:57:25	20241030-1332-B400_B.14-25	14	P31_CPD_Day	m56540yz	-	+	-	-	-	+	+	Ref 3rd Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
25	19:52:58	20241030-1332-B400_B.14-25	13	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref 3rd Group Schroder_M
39	19:47:25	20241102-1752-B400_B.14-39	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-045 NMR sample at 80C Group Mehta_M
38	19:41:49	20241102-1752-B400_B.14-38	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-045 mv at 100C Group Mehta_M
37	19:36:09	20241102-1751-B400_B.14-37	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-044 org with py Group Mehta_M
20	19:31:45	20241102-1716-B400_B.14-20	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-16e Group Trowbridge_A
19	19:26:57	20241102-1716-B400_B.14-19	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-16d Group Trowbridge_A
18	19:22:24	20241102-1716-B400_B.14-18	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-16c Group Trowbridge_A
11	19:17:48	20241102-1714-B400_B.14-11	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-16a Group Trowbridge_A
12	19:12:37	20241102-1714-B400_B.14-12	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-16b Group Trowbridge_A
1	19:07:48	20241102-1627-B400_B.14-1	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-126-1a Group Procter_D
10	18:41:01	20241102-1440-B400_B.14-66	11	P31_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 528 pph2me cs 1 Group Larrosa_I
9	18:13:53	20241102-1440-B400_B.14-65	11	P31_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 528 pph3 cs 1 Group Larrosa_I
8	17:47:05	20241102-1440-B400_B.14-64	11	P31_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 528 pph2me ag 1 Group Larrosa_I
7	17:20:11	20241102-1440-B400_B.14-63	11	P31_CPD_Night	r64579jc	+	+	-	+	-	+	+	Ref 528 pph3 ag 1 Group Larrosa_I
6	17:17:54	20241102-1440-B400_B.14-62	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 528 pph2me cs 2 Group Larrosa_I
6	17:15:03	20241102-1440-B400_B.14-62	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 528 pph2me cs 2 Group Larrosa_I
5	16:48:53	20241102-1440-B400_B.14-61	11	P31_CPD_Night	r64579jc	-	+	-	-	-	+	+	Ref 528 pph3 cs 2 Group Larrosa_I
5	16:45:55	20241102-1440-B400_B.14-61	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 528 pph3 cs 2 Group Larrosa_I
60	16:43:38	20241102-1440-B400_B.14-60	11	P31_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 528 pph2me ag 2 Group Larrosa_I
60	16:40:36	20241102-1440-B400_B.14-60	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 528 pph2me ag 2 Group Larrosa_I
59	16:14:37	20241102-1440-B400_B.14-59	11	P31_NoCPD_Night	r64579jc	-	+	-	-	-	+	+	Ref 528 pph3 ag 2 Group Larrosa_I
59	16:11:24	20241102-1440-B400_B.14-59	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref 528 pph3 ag 2 Group Larrosa_I
36	16:07:28	20241102-1311-B400_B.14-36	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1201 Group Larrosa_I
35	16:02:39	20241102-1311-B400_B.14-35	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1193 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
35	15:58:13	20241102-1311-B400_B.14-35	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1193 Group Larrosa_I
34	15:53:25	20241102-1311-B400_B.14-34	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1190 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
34	15:48:45	20241102-1311-B400_B.14-34	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1190 Group Larrosa_I
33	15:43:59	20241102-1311-B400_B.14-33	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1186 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
33	15:39:24	20241102-1311-B400_B.14-33	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1186 Group Larrosa_I
52	15:34:27	20241102-1303-B400_B.14-52	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-437-ac Group Procter_D
30	15:30:10	20241102-1207-B400_B.14-30	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1204 Group Larrosa_I
29	15:26:28	20241102-1206-B400_B.14-29	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1196.1 Group Larrosa_I
28	15:22:32	20241102-1206-B400_B.14-28	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1196 Group Larrosa_I
27	15:17:40	20241102-1206-B400_B.14-27	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1191 possible Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27	15:13:32	20241102-1206-B400_B.14-27	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1191 possible Group Larrosa_I
4	15:09:34	20241102-1205-B400_B.14-4	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1197.1 Group Larrosa_I
3	15:05:40	20241102-1205-B400_B.14-3	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1197 Group Larrosa_I
2	15:00:49	20241102-1205-B400_B.14-2	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1194 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	14:56:11	20241102-1205-B400_B.14-2	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1194 Group Larrosa_I
1	14:51:03	20241102-1205-B400_B.14-1	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1192 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	14:46:58	20241102-1205-B400_B.14-1	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1192 Group Larrosa_I
58	14:42:28	20241101-1845-B400_B.14-58	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241101-2 Group Greaney_M
57	14:38:09	20241101-1845-B400_B.14-57	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241101-1 Group Greaney_M
56	14:21:16	20241101-1831-B400_B.14-56	11	C13_CPD_Night256	s52134ad	+	+	-	+	+	+	+	Ref AJD H64e (f 27-39) Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
53	13:55:16	20241101-1736-B400_B.14-53	12	P31_CPD_Night	b64833pg	-	+	-	-	-	+	+	Ref MLT-PCG-007 o-tol3P Group Turner_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
53	13:26:54	20241101-1736-B400_B.14-53	11	P31_NoCPD_Night	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007 o-tol3P Group Turner_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
51	13:14:32	20241101-1705-B400_B.14-51	13	H1_C13_HSQC_US_Night	x25009jo	-	+	-	-	-	+	+	Ref GDB-JO-730-FC Group DeBo_G
51	12:53:28	20241101-1705-B400_B.14-51	12	H1_C13_HMBC_US_Night	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-730-FC Group DeBo_G
36	12:49:00	20241101-1616-B400_B.14-36	10	H1_Night	b06681sg	+	+	-	+	+	+	+	Ref sg mg au g 13 Group Gibson_M
45	12:40:19	20241101-1556-B400_B.14-45	12	H1_Quant_Night	n38871ln	+	+	-	+	+	+	+	Ref ln43-4 Group Larrosa_I
44	12:31:20	20241101-1555-B400_B.14-44	12	H1_Quant_Night	n38871ln	+	+	-	+	+	+	+	Ref ln43-3 Group Larrosa_I
40	12:22:54	20241101-1555-B400_B.14-40	12	H1_Quant_Night	n38871ln	+	+	-	+	+	+	+	Ref ln43-2 Group Larrosa_I
39	12:13:57	20241101-1554-B400_B.14-39	12	H1_Quant_Night	n38871ln	+	+	-	+	+	+	+	Ref ln43-1 Group Larrosa_I
11	11:59:31	20241101-1150-B400_B.14-11	18	C13_CPD_Night256	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1382-A Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	11:35:45	20241101-1150-B400_B.14-11	17	H1_C13_HSQCed_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1382-A Group Larrosa_I	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
11	11:15:05	20241101-1150-B400_B.14-11	16	H1_C13_HMBC_US_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1382-A Group Larrosa_I
10	19:06:15	20241031-1952-B400_B.14-10	10	F19_Quant_D35_Night	b72547am	x	-	-	-	-	-	-	Ref 4-6 cy further 3h 80C Group Larrosa_I	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.10'.
9	19:06:06	20241031-1952-B400_B.14-9	10	F19_Quant_D35_Night	b72547am	x	-	-	-	-	-	-	Ref 4-5 cy further 3h 80C Group Larrosa_I	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.9'.
8	19:05:36	20241031-1952-B400_B.14-8	10	F19_Quant_D35_Night	b72547am	-	-	-	-	-	-	-	Ref 4-6 tbu Group Larrosa_I
55	18:57:07	20241101-1810-B400_B.14-55	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-91 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55	18:40:10	20241101-1810-B400_B.14-55	11	C13_CPD_Night256	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-91 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56	18:35:16	20241101-1831-B400_B.14-56	10	H1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64e (f 27-39) Group Larrosa_I
55	18:26:21	20241101-1810-B400_B.14-55	10	H1_Night	a74776dr	+	+	-	+	x	+	+	Ref DJP-DR-1-91 Group Procter_D	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
54	18:11:55	20241101-1739-B400_B.14-54	11	C13_CPD_Night256	b64833pg	-	+	-	-	-	+	+	Ref MTL-PCG-007 BT Group Turner_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	17:57:48	20241101-1739-B400_B.14-54	10	H1_Night128	b64833pg	+	+	-	+	+	+	+	Ref MTL-PCG-007 BT Group Turner_M
53	17:43:31	20241101-1736-B400_B.14-53	10	H1_Night128	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007 o-tol3P Group Turner_M
51	17:26:26	20241101-1705-B400_B.14-51	11	C13_CPD_Night256	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-730-FC Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	17:21:26	20241101-1717-B400_B.14-52	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-35-p1 Al Group Trowbridge_A
51	17:16:51	20241101-1705-B400_B.14-51	10	H1_Night	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-730-FC Group DeBo_G
49	17:10:27	20241101-1556-B400_B.14-49	12	H1_Quant_Night	n38871ln	-	+	-	-	-	+	+	Ref ln43-5 Group Larrosa_I
49	17:05:44	20241101-1556-B400_B.14-49	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln43-5 Group Larrosa_I
47	17:02:42	20241101-1614-B400_B.14-47	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref CeN"3 Group Liddle_S
46	17:00:27	20241101-1557-B400_B.14-44	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref pph2Me CsF Group Larrosa_I
46	16:57:35	20241101-1557-B400_B.14-44	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref pph2Me CsF Group Larrosa_I
45	16:53:36	20241101-1556-B400_B.14-45	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln43-4 Group Larrosa_I
44	16:49:25	20241101-1555-B400_B.14-44	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln43-3 Group Larrosa_I
43	16:47:06	20241101-1557-B400_B.14-43	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref pph3 CsF Group Larrosa_I
43	16:44:00	20241101-1557-B400_B.14-43	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref pph3 CsF Group Larrosa_I	apks: ILLEGAL TERMINATION of command apks due to signal 11 (Segmentation fault); pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241101-1557-B400_B.14-43/10/pdata/1/peaks!, apks: ILLEGAL TERMINATION of command apks due to signal 11 (Segmentation fault); pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241101-1557-B400_B.14-43/10/pdata/1/peaks!
42	16:41:41	20241101-1557-B400_B.14-42	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref pph2Me AgF Group Larrosa_I
42	16:38:44	20241101-1557-B400_B.14-42	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref pph2Me AgF Group Larrosa_I
41	16:36:23	20241101-1557-B400_B.14-41	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref pph3 AgF Group Larrosa_I
41	16:33:17	20241101-1557-B400_B.14-41	10	F19_CPD_Day	r64579jc	+	+	-	+	-	+	+	Ref pph3 AgF Group Larrosa_I
40	16:28:37	20241101-1555-B400_B.14-40	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln43-2 Group Larrosa_I
39	16:24:28	20241101-1554-B400_B.14-39	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln43-1 Group Larrosa_I
38	16:19:55	20241101-1551-B400_B.14-38	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref JMG014F16 Group Crisenza_G
37	16:15:49	20241101-1549-B400_B.14-37	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref SG MG Au G 12 Group Gibson_M
36	16:10:48	20241101-1529-B400_B.14-36	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H67d (c) Group Larrosa_I
35	16:05:20	20241101-1529-B400_B.14-35	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H67c (c) Group Larrosa_I
34	16:00:48	20241101-1553-B400_B.14-34	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref mfg-ad-218 Group Greaney_M
33	15:55:57	20241101-1540-B400_B.14-33	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-075-iso Group Trowbridge_A
31	15:52:01	20241101-1532-B400_B.14-31	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-062 Group Procter_D
30	15:47:00	20241101-1528-B400_B.14-30	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H67b (c) Group Larrosa_I
29	15:41:59	20241101-1528-B400_B.14-29	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H67a (c) Group Larrosa_I
28	15:37:27	20241101-1514-B400_B.14-28	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-119 FT Group James_M
27	15:32:53	20241101-1513-B400_B.14-27	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-119 f73-100 Group James_M
22	15:28:28	20241101-1513-B400_B.14-22	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-119 f18-24 Group James_M
18	15:26:16	20241101-1502-B400_B.14-18	19	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 10 Group Gibson_M
18	15:24:05	20241101-1502-B400_B.14-18	18	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 9 Group Gibson_M
18	15:21:53	20241101-1502-B400_B.14-18	17	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 8 Group Gibson_M
18	15:19:41	20241101-1502-B400_B.14-18	16	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 7 Group Gibson_M
18	15:17:30	20241101-1502-B400_B.14-18	15	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 6 Group Gibson_M
18	15:15:18	20241101-1502-B400_B.14-18	14	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 5 Group Gibson_M
18	15:13:07	20241101-1502-B400_B.14-18	13	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 4 Group Gibson_M
18	15:10:55	20241101-1502-B400_B.14-18	12	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 3 Group Gibson_M
18	15:08:40	20241101-1502-B400_B.14-18	11	H1_Day	b06681sg	-	+	-	-	-	+	+	Ref MG SG Au G 2 Group Gibson_M
18	15:04:18	20241101-1502-B400_B.14-18	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG SG Au G 1 Group Gibson_M
16	14:39:57	20241101-1435-B400_B.14-16	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241028-7c Group Greaney_M
15	14:35:02	20241101-1434-B400_B.14-15	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241030-7c Group Greaney_M
14	14:26:38	20241101-1426-B400_B.14-14	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB080 Group Procter_D
12	14:19:38	20241101-1417-B400_B.14-12	10	H1_Day	c46714th	+	+	-	+	+	+	+	Ref TH-27x-white solid in D2O Group James_M
7	14:14:44	20241101-1414-B400_B.14-7	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB079 Group Procter_D
6	13:42:57	20241101-1324-B400_B.14-6	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H8 Group Gibson_M
5	13:38:49	20241101-1324-B400_B.14-5	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G8 Group Gibson_M
4	13:36:25	20241101-1317-B400_B.14-4	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-6 tBu ovn rt Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4	13:29:29	20241101-1317-B400_B.14-4	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-6 tBu ovn rt Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
2	13:27:33	20241101-1315-B400_B.14-2	11	F19_NoCPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-10 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
2	13:23:22	20241101-1315-B400_B.14-2	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 4-10 Group Larrosa_I
1	13:21:01	20241101-1315-B400_B.14-1	11	F19_NoCPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-7 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
1	13:16:03	20241101-1315-B400_B.14-1	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 4-7 Group Larrosa_I
11	13:04:31	20241101-1150-B400_B.14-11	15	H1_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1382-A Group Larrosa_I
12	12:59:49	20241101-1250-B400_B.14-12	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-438-pb Group Procter_D
11	12:48:00	20241101-1150-B400_B.14-11	14	H1_COSY_HiRes_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1382-A Group Larrosa_I
11	12:41:01	20241101-1150-B400_B.14-11	13	F19_CPD_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1382-A Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11	12:36:31	20241101-1150-B400_B.14-11	12	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1382-A Group Larrosa_I
35	12:31:59	20241101-1224-B400_B.14-35	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 024 (third fraction) Group Webb_S
34	12:27:12	20241101-1222-B400_B.14-34	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 024 (second fraction) Group Webb_S
33	12:22:23	20241101-1220-B400_B.14-33	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 024 (first fraction) Group Webb_S
32	12:21:06	20241101-1136-B400_B.14-32	10	H1_Night	z65435tw	-	-	-	-	-	-	-	Ref tw-noesy1 Group Crisenza_G
15	12:17:23	20241101-1155-B400_B.14-14	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-103-C Group Procter_D
14	12:13:42	20241101-1155-B400_B.14-13	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-103-B Group Procter_D
12	12:09:45	20241101-1155-B400_B.14-12	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-112 Group Procter_D
11	12:07:11	20241101-1150-B400_B.14-11	11	F19_CPD_Day	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1382-A Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11	12:02:50	20241101-1150-B400_B.14-11	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1382-A Group Larrosa_I
7	11:59:23	20241101-1149-B400_B.14-7	10	P31_Extrawide_Day	r64579jc	+	+	-	+	-	+	+	Ref pcy3 5 2 Group Larrosa_I
6	11:55:45	20241101-1149-B400_B.14-6	10	P31_Extrawide_Day	r64579jc	+	+	-	+	-	+	+	Ref pcy3 1 2 Group Larrosa_I
5	11:54:07	20241101-1142-B400_B.14-5	11	H1_Quant_NS1_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-Gb081_quant Group Procter_D
5	11:49:50	20241101-1142-B400_B.14-5	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-Gb081 Group Procter_D
4	11:45:18	20241101-1125-B400_B.14-4	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ274 Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4	11:41:16	20241101-1125-B400_B.14-4	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ274 Group Procter_D
2	11:35:50	20241101-1125-B400_B.14-2	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ273 Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
2	11:31:43	20241101-1125-B400_B.14-2	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ273 Group Procter_D
1	11:29:35	20241101-1124-B400_B.14-1	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ269_TFA Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	11:25:08	20241101-1124-B400_B.14-1	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ269_TFA Group Procter_D
31	11:16:49	20241101-1103-B400_B.14-31	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H66f (c) - correct Group Larrosa_I
30	11:02:23	20241031-2205-B400_B.14-30	10	H1_Night128	m14042yw	+	+	-	+	+	+	+	Ref YW-3-3-3-t20 Group Shaver_M
47	10:58:13	20241101-0955-B400_B.14-47	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F8t40 Group Gibson_M
46	10:53:43	20241101-0955-B400_B.14-46	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E8t40 Group Gibson_M
45	10:49:26	20241031-1623-B400_B.14-45	16	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D8t40 Group Gibson_M
42	10:47:05	20241101-1001-B400_B.14-42	11	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-34-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
42	10:42:34	20241101-1001-B400_B.14-42	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-34-p1 Group Trowbridge_A
41	10:38:22	20241101-0953-B400_B.14-41	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C8t40 Group Gibson_M
40	10:34:08	20241101-0953-B400_B.14-40	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B8t40 Group Gibson_M
39	10:29:52	20241101-0953-B400_B.14-39	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A8t40 Group Gibson_M
38	10:25:00	20241101-0949-B400_B.14-38	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM531.46 Group Willcox_D
36	10:20:39	20241101-1000-B400_B.14-36	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 EtOH precip - Acetone-d6 Group DeBo_G
35	10:16:08	20241101-1000-B400_B.14-35	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 EtOH precip - Basic CDCl3 Group DeBo_G
34	10:11:53	20241101-0947-B400_B.14-34	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-361-(b) Group Greaney_M
33	10:07:20	20241101-0946-B400_B.14-33	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-361-(a) Group Greaney_M
32	10:02:10	20241101-0945-B400_B.14-32	10	H1_Quant_NS1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-094 Group James_M
31	09:57:42	20241101-0944-B400_B.14-31	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-08-010 crude Group James_M
29	09:43:46	20241031-2205-B400_B.14-29	10	H1_Night128	m14042yw	+	+	-	+	+	+	+	Ref YW-3-3-2-t20 Group Shaver_M
31	09:38:53	20241101-0928-B400_B.14-31	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065J Group Riddell_I
28	09:24:45	20241031-2205-B400_B.14-28	10	H1_Night128	m14042yw	+	+	-	+	+	+	+	Ref YW-3-3-1-t20 Group Shaver_M
7	09:20:05	20241101-0805-B400_B.14-7	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1182 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
7	09:15:33	20241101-0805-B400_B.14-7	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1182 Group Larrosa_I
6	09:10:52	20241101-0805-B400_B.14-6	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1180 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	09:06:43	20241101-0805-B400_B.14-6	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1180 Group Larrosa_I
5	09:01:52	20241101-0805-B400_B.14-5	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1179 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	08:57:24	20241101-0805-B400_B.14-5	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1179 Group Larrosa_I
1	08:52:53	20241101-0837-B400_B.14-1	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB082 Group Procter_D
60	08:48:43	20241101-0834-B400_B.14-60	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Mixture after 96h - Acetone-d6 Group DeBo_G
59	08:43:56	20241101-0804-B400_B.14-59	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-squaraminde DPEN Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
59	08:39:45	20241101-0804-B400_B.14-59	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-squaraminde DPEN Group Larrosa_I
58	08:32:38	20241101-0804-B400_B.14-58	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-squaraminde Amine CF3 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
58	08:28:10	20241101-0804-B400_B.14-58	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-squaraminde Amine CF3 Group Larrosa_I
57	08:23:39	20241101-0803-B400_B.14-57	12	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-benzyl amine CF3 urea + electrophile Group Larrosa_I
57	08:22:35	20241101-0803-B400_B.14-57	11	H1_ExtraWide_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-benzyl amine CF3 urea + electrophile 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/u50028ip/nmr/20241101-0803-B400_B.14-57/11/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241101-0803-B400_B.14-57/11/pdata/1/peaks!
57	08:19:18	20241101-0803-B400_B.14-57	10	H1_Day	u50028ip	+	+	-	+	-	+	+	Ref NP-benzyl amine CF3 urea + electrophile 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/u50028ip/nmr/20241101-0803-B400_B.14-57/10/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/u50028ip/nmr/20241101-0803-B400_B.14-57/10/pdata/1/peaks!
56	08:12:40	20241031-2201-B400_B.14-56	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 5-241031 Group Schroder_M
55	08:06:01	20241031-2201-B400_B.14-55	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 4-241031 Group Schroder_M
54	07:59:50	20241031-2201-B400_B.14-54	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 3-241031 Group Schroder_M
53	07:53:27	20241031-2201-B400_B.14-53	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 60241028-1.2 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	07:47:14	20241031-2201-B400_B.14-52	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 60241028-1.1 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	07:39:34	20241031-2201-B400_B.14-51	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 60241028-1.0 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	07:35:25	20241031-2105-B400_B.14-4	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e494 p2 Group DeBo_G
7	07:28:34	20241031-1951-B400_B.14-7	12	F19_CPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-5 2nd pr Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
7	07:21:15	20241031-1951-B400_B.14-7	11	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-5 2nd pr Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
7	07:07:36	20241031-1951-B400_B.14-7	10	H1_Night128	b72547am	+	+	-	+	+	+	+	Ref 4-5 2nd pr Group Larrosa_I
2	06:50:29	20241031-1811-B400_B.14-2	10	C13_CPD_Night256	n38871ln	+	+	-	+	+	+	+	Ref int1 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59	06:44:38	20241031-1714-B400_B.14-59	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_033_6 Group Bures_J
11	06:30:16	20241031-1246-B400_B.14-11	12	H1_COSY_HiRes_Night	v73981ac	+	+	-	+	+	+	+	Ref ILAC60B Group Larrosa_I
27	06:15:30	20241031-1249-B400_B.14-27	11	H1_COSY_HiRes_Night	v73981ac	+	+	-	+	+	+	+	Ref ILAC60F Group Larrosa_I
22	06:01:10	20241031-1249-B400_B.14-22	12	H1_COSY_HiRes_Night	v73981ac	+	+	-	+	+	+	+	Ref ILAC60E Group Larrosa_I
50	05:53:50	20241031-1643-B400_B.14-50	15	F19_NoCPD_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-359full 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
50	05:30:04	20241031-1643-B400_B.14-50	14	H1_C13_HSQCed_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-359full Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
50	05:11:40	20241031-1643-B400_B.14-50	13	H1_C13_HMBC_US_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-359full Group Procter_D
50	04:59:53	20241031-1643-B400_B.14-50	12	H1_COSY_HiRes_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-359full Group Procter_D
50	04:45:01	20241031-1643-B400_B.14-50	11	C13_CPD_Night256	h55599rb	-	+	-	-	-	+	+	Ref RB-8-359full Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50	04:40:51	20241031-1643-B400_B.14-50	10	H1_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-359full Group Procter_D
49	04:32:34	20241031-1643-B400_B.14-49	15	F19_NoCPD_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-358full 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
49	04:08:48	20241031-1643-B400_B.14-49	14	H1_C13_HSQCed_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-358full Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
49	03:50:25	20241031-1643-B400_B.14-49	13	H1_C13_HMBC_US_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-358full Group Procter_D
49	03:38:38	20241031-1643-B400_B.14-49	12	H1_COSY_HiRes_Night	h55599rb	-	+	-	-	-	+	+	Ref RB-8-358full Group Procter_D
49	03:23:42	20241031-1643-B400_B.14-49	11	C13_CPD_Night256	h55599rb	-	+	-	-	-	+	+	Ref RB-8-358full Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	03:19:32	20241031-1643-B400_B.14-49	10	H1_Night	h55599rb	+	+	-	+	+	+	+	Ref RB-8-358full Group Procter_D
45	03:16:47	20241031-1623-B400_B.14-45	15	P31_Extrawide_Day	v30463jm	-	+	-	-	-	+	+	Ref GT112 C6D6 Group Mehta_M	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1623-B400_B.14-45/15/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1623-B400_B.14-45/15/pdata/1/peaks!
45	03:03:39	20241031-1623-B400_B.14-45	14	H1_P31_HSQC_Night	v30463jm	-	+	-	-	-	+	+	Ref GT112 C6D6 Group Mehta_M
45	02:37:30	20241031-1623-B400_B.14-45	13	P31_Wide_Night	v30463jm	-	+	-	-	-	+	+	Ref GT112 C6D6 Group Mehta_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	02:20:53	20241031-1623-B400_B.14-45	12	C13_CPD_Night256	v30463jm	+	+	-	+	+	+	+	Ref GT112 C6D6 Group Mehta_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43	01:02:18	20241031-1612-B400_B.14-43	13	H1_COSY_NS32_Night	z61799af	-	+	-	-	-	+	+	Ref IL-AF-2F5FDM-COSY Group Larrosa_I
43	00:43:36	20241031-1612-B400_B.14-43	12	C13_DEPTQ_Night	z61799af	+	+	-	+	+	+	+	Ref IL-AF-2F5FDM-C Group Larrosa_I	sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Larrosa_I/data/z61799af/nmr/20241031-1612-B400_B.14-43/12/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Larrosa_I/data/z61799af/nmr/20241031-1612-B400_B.14-43/12/pdata/1/peaks No peak is found in the specified ranges!
6	00:37:22	20241031-1539-B400_B.14-6	13	H1_COSY_Day	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0031-COSY Group DeBo_G
6	00:13:36	20241031-1539-B400_B.14-6	12	H1_C13_HSQCed_Night	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0031-HSQC Group DeBo_G	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
6	00:11:24	20241031-1539-B400_B.14-6	11	H1_Night	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0031-1H Group DeBo_G
6	23:54:13	20241031-1539-B400_B.14-6	10	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0031-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33	23:41:49	20241031-1508-B400_B.14-33	14	H1_C13_HSQC_US_Night	n30981jh	-	+	-	-	-	+	+	Ref jh nwc161 post dialysis Group Shaver_M
33	23:39:32	20241031-1508-B400_B.14-33	13	H1_Night	n30981jh	-	+	-	-	-	+	+	Ref jh nwc161 post dialysis Group Shaver_M
33	23:27:36	20241031-1508-B400_B.14-33	12	H1_COSY_HiRes_Night	n30981jh	-	+	-	-	-	+	+	Ref jh nwc161 post dialysis Group Shaver_M
33	22:33:29	20241031-1508-B400_B.14-33	11	C13_CPD_Night256	n30981jh	-	+	-	-	-	+	+	Ref jh nwc161 post dialysis Group Shaver_M
33	22:17:13	20241031-1508-B400_B.14-33	10	H1_Night128	n30981jh	+	+	-	+	+	+	+	Ref jh nwc161 post dialysis Group Shaver_M
14	21:53:27	20241031-1503-B400_B.14-14	16	H1_C13_HSQCed_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1383-A Group Larrosa_I	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
14	21:35:03	20241031-1503-B400_B.14-14	15	H1_C13_HMBC_US_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1383-A Group Larrosa_I
14	21:32:51	20241031-1503-B400_B.14-14	14	H1_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1383-A Group Larrosa_I
14	21:20:58	20241031-1503-B400_B.14-14	13	H1_COSY_HiRes_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1383-A Group Larrosa_I
14	21:01:15	20241031-1503-B400_B.14-14	12	C13_CPD_Night256	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1383-A Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60	20:46:23	20241031-1338-B400_B.14-60	13	C13_CPD_Night256	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
60	20:43:40	20241031-1338-B400_B.14-60	12	P31_Extrawide_Day	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1338-B400_B.14-60/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1338-B400_B.14-60/12/pdata/1/peaks!
60	20:40:55	20241031-1338-B400_B.14-60	11	P31_Extrawide_Day	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1338-B400_B.14-60/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1338-B400_B.14-60/11/pdata/1/peaks!
60	20:11:06	20241031-1338-B400_B.14-60	10	P31_Wide_Night	v30463jm	+	+	-	+	+	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1338-B400_B.14-60/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1338-B400_B.14-60/10/pdata/1/peaks!
16	19:56:10	20241031-0903-B400_B.14-16	13	C13_CPD_Night256	m56540yz	-	+	-	-	-	+	+	Ref mixed Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	18:51:00	20241031-0903-B400_B.14-16	12	H1_P31_HMBC_Night	m56540yz	+	+	-	+	+	+	+	Ref mixed Group Schroder_M
36	18:50:52	20241031-0806-B400_B.14-36	12	H1_NOESY_US_Night	m14269jw	x	-	-	-	-	-	-	Ref IR-JW-2067-F Group Riddell_I	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.36'.
35	18:50:24	20241031-0805-B400_B.14-35	11	H1_NOESY_US_Night	m14269jw	-	-	-	-	-	-	-	Ref IR-JW-2067-E-Iso Group Riddell_I
58	18:44:53	20241031-1713-B400_B.14-58	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_033_5 Group Bures_J
57	18:39:24	20241031-1712-B400_B.14-57	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_033_4 Group Bures_J
55	18:34:06	20241031-1738-B400_B.14-55	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
54	18:29:50	20241031-1729-B400_B.14-54	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-297 so p checar Group Procter_D
53	18:24:21	20241031-1711-B400_B.14-53	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_033_3 Group Bures_J
52	18:18:49	20241031-1710-B400_B.14-52	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_033_2 Group Bures_J
51	18:13:10	20241031-1707-B400_B.14-51	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_033_1 Group Bures_J
48	18:08:43	20241031-1659-B400_B.14-48	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 Et2O-washed solid - Basic CDCl3 Group DeBo_G
47	18:03:46	20241031-1659-B400_B.14-47	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 Et2O filtrate - Basic CDCl3 Group DeBo_G
46	17:51:52	20241031-1640-B400_B.14-46	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 purify attempt Group Larrosa_I
45	17:48:57	20241031-1623-B400_B.14-45	11	P31_Extrawide_Day	v30463jm	-	+	-	-	-	+	+	Ref GT112 C6D6 Group Mehta_M	sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1623-B400_B.14-45/11/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241031-1623-B400_B.14-45/11/pdata/1/peaks!
45	17:44:50	20241031-1623-B400_B.14-45	10	H1_Day	v30463jm	+	+	-	+	+	+	+	Ref GT112 C6D6 Group Mehta_M
44	17:40:34	20241031-1615-B400_B.14-44	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-ALD Group Larrosa_I dimethyl aldehyde
43	17:38:12	20241031-1612-B400_B.14-43	11	F19_CPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-2F5FDM-F Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
43	17:33:56	20241031-1612-B400_B.14-43	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-2F5FDM-H Group Larrosa_I
42	17:27:37	20241031-1538-B400_B.14-42	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK045-3 in chloro Group Gibson_M JK045-3 in chloro
42	17:23:07	20241031-1538-B400_B.14-42	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK045-3 in chloro Group Gibson_M JK045-3 in chloro
41	17:18:56	20241031-1608-B400_B.14-41	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC127 Group Shaver_M
40	17:14:37	20241031-1608-B400_B.14-40	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC126 Group Shaver_M
39	17:10:34	20241031-1608-B400_B.14-39	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC125.3 Group Shaver_M
38	17:06:29	20241031-1608-B400_B.14-38	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC125.2 Group Shaver_M
37	17:02:11	20241031-1608-B400_B.14-37	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC125.1 Group Shaver_M
34	16:57:47	20241031-1557-B400_B.14-34	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1h Group Procter_D
32	16:51:34	20241031-1423-B400_B.14-32	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 120-1.3 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31	16:45:34	20241031-1423-B400_B.14-31	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 120-1.1 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	16:39:28	20241031-1423-B400_B.14-30	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 120-1.0 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	16:33:03	20241031-1423-B400_B.14-29	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 240-1.1 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	16:26:03	20241031-1423-B400_B.14-28	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 240-1.0 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27	16:20:44	20241031-1249-B400_B.14-27	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC60F Group Larrosa_I
22	16:18:49	20241031-1249-B400_B.14-22	11	F19_NoCPD_Day	v73981ac	-	+	-	-	-	+	+	Ref ILAC60E Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
22	16:13:26	20241031-1249-B400_B.14-22	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC60E Group Larrosa_I
21	16:08:58	20241025-1256-B400_B.14-21	11	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1g Group Procter_D
20	16:04:47	20241025-1256-B400_B.14-20	11	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1f Group Procter_D
19	16:00:07	20241025-1256-B400_B.14-19	11	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1e Group Procter_D
18	15:54:30	20241031-1248-B400_B.14-18	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC60D Group Larrosa_I
14	15:52:17	20241031-1503-B400_B.14-14	11	F19_CPD_Day	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1383-A Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
14	15:47:19	20241031-1503-B400_B.14-14	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1383-A Group Larrosa_I
13	15:35:09	20241030-2122-B400_B.14-13	11	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 purity Group Larrosa_I
12	15:30:11	20241031-1246-B400_B.14-12	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC60C Group Larrosa_I
11	15:28:22	20241031-1246-B400_B.14-11	11	F19_NoCPD_Day	v73981ac	-	+	-	-	-	+	+	Ref ILAC60B 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	15:23:00	20241031-1246-B400_B.14-11	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC60B Group Larrosa_I
10	15:17:27	20241031-1246-B400_B.14-10	10	H1_Quant_NS1_Day	v73981ac	+	+	-	+	+	+	+	Ref ILAC60A Group Larrosa_I
9	15:12:44	20241031-1245-B400_B.14-9	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1188 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	15:08:18	20241031-1245-B400_B.14-9	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1188 Group Larrosa_I
8	15:03:36	20241031-1245-B400_B.14-8	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1187 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	14:59:25	20241031-1245-B400_B.14-8	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1187 Group Larrosa_I
7	14:53:04	20241031-1245-B400_B.14-7	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1184 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
7	14:48:53	20241031-1245-B400_B.14-7	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1184 Group Larrosa_I
5	14:44:34	20241031-1435-B400_B.14-5	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB074_tol Group Procter_D
4	14:42:19	20241031-1341-B400_B.14-4	11	F19_CPD_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-268b SW 248H2NAib4F Group Webb_S	sref: NUCLEUS '19F' not 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	14:37:45	20241031-1341-B400_B.14-4	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-268b SW 248H2NAib4F Group Webb_S
2	14:33:42	20241031-1321-B400_B.14-2	10	H1_Day	w61916tz	+	+	-	+	+	+	+	Ref sy-tz-13-h2bibta-1h Group Schroder_M
1	14:29:22	20241031-1321-B400_B.14-1	10	H1_Day	w61916tz	+	+	-	+	+	+	+	Ref sy-t-12-20240915A-H2bibta-1h Group Schroder_M
59	14:23:32	20241031-1244-B400_B.14-59	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1189 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
59	14:19:04	20241031-1244-B400_B.14-59	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1189 Group Larrosa_I
58	14:14:16	20241031-1243-B400_B.14-58	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Bis squaramide salt 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
58	14:05:21	20241031-1243-B400_B.14-58	10	H1_Day	u50028ip	+	+	-	+	x	+	+	Ref Bis squaramide salt Group Larrosa_I	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
57	14:00:17	20241031-1243-B400_B.14-57	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Boronic chiral Ipr urea salt 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
57	13:56:08	20241031-1243-B400_B.14-57	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Boronic chiral Ipr urea salt Group Larrosa_I
56	13:51:03	20241031-1217-B400_B.14-56	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H66e (c) + product Group Larrosa_I
55	13:45:48	20241031-1217-B400_B.14-55	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H66c (c) + product Group Larrosa_I
54	13:40:10	20241031-1210-B400_B.14-54	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-045 crude Group Mehta_M
53	13:37:51	20241031-1209-B400_B.14-53	11	H1_Day	k64888zx	-	+	-	-	-	+	+	Ref zx359-polystpphcl2-cdcl3 Group Shaver_M
53	13:32:10	20241031-1209-B400_B.14-53	10	P31_Wide_Day	k64888zx	+	+	-	+	+	+	+	Ref zx359-polystpphcl2-cdcl3 Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
52	13:27:27	20241031-1207-B400_B.14-52	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref mfg-ad-214-1 Group Greaney_M
51	13:22:45	20241031-1206-B400_B.14-51	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref mfg-ad-205a Group Greaney_M
50	13:18:06	20241031-1205-B400_B.14-50	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref mfg-ad-205b Group Greaney_M
49	13:13:19	20241031-1154-B400_B.14-49	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ272 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
49	13:08:35	20241031-1154-B400_B.14-49	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ272 Group Procter_D
48	13:04:07	20241029-1218-B400_B.14-48	11	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-123-1a Group Procter_D
47	12:59:51	20241031-1204-B400_B.14-47	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref mfg-ad-214-2b Group Greaney_M
46	12:55:21	20241031-1201-B400_B.14-46	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref mfg-ad216 Group Greaney_M
45	12:50:52	20241031-1159-B400_B.14-45	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref mfg-ad-214-2a Group Greaney_M
44	12:46:02	20241031-1153-B400_B.14-44	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ265 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
44	12:41:20	20241031-1153-B400_B.14-44	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ265 Group Procter_D
43	12:37:03	20241031-1153-B400_B.14-43	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ269 Group Procter_D
42	12:32:37	20241031-1153-B400_B.14-42	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ267 Group Procter_D
41	12:30:27	20241031-1147-B400_B.14-41	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-6 after elec 2h 50C Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
41	12:23:45	20241031-1147-B400_B.14-41	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-6 after elec 2h 50C Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
40	12:21:26	20241031-1147-B400_B.14-40	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-5 after elec 2h 50C Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
40	12:14:25	20241031-1147-B400_B.14-40	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-5 after elec 2h 50C Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
39	12:11:19	20241031-1146-B400_B.14-39	11	P31_Extrawide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS839_ptol_chk Group Willcox_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q65960rs/nmr/20241031-1146-B400_B.14-39/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q65960rs/nmr/20241031-1146-B400_B.14-39/11/pdata/1/peaks!
39	12:06:24	20241031-1146-B400_B.14-39	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS839_ptol_chk Group Willcox_D
38	12:03:07	20241031-1145-B400_B.14-38	11	P31_Extrawide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS548_chk Group Willcox_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
38	11:58:58	20241031-1145-B400_B.14-38	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS548_chk Group Willcox_D
37	11:53:29	20241031-1017-B400_B.14-37	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-044 alt Group Mehta_M
34	11:48:00	20241031-1015-B400_B.14-34	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-044 rt overnight Group Mehta_M
33	11:42:25	20241031-1015-B400_B.14-33	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-041 Wwith KBr Group Mehta_M
32	11:37:50	20241031-1012-B400_B.14-32	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-096 P1 F17-25 Group James_M
31	11:32:44	20241031-1012-B400_B.14-31	10	H1_Quant_NS1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-098 Group James_M
30	11:27:13	20241031-1011-B400_B.14-30	10	H1_Quant_NS1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-094 Group James_M
29	10:10:06	20241031-1001-B400_B.14-29	11	H1_Quant_D1_25s_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 3d Group Larrosa_I
29	10:05:40	20241031-1001-B400_B.14-29	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 3d Group Larrosa_I
28	10:01:26	20241031-0956-B400_B.14-28	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-119e Group James_M
27	09:56:41	20241031-0955-B400_B.14-27	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-118e Group James_M
18	09:46:40	20241031-0945-B400_B.14-18	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H59a (f 8) 31/10 Group Larrosa_I
15	09:34:42	20241031-0930-B400_B.14-15	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref JMG011CP Group Crisenza_G
30	09:30:10	20241031-0919-B400_B.14-30	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Mixture after 72h - Acetone-d6 Group DeBo_G
29	09:25:08	20241031-0919-B400_B.14-29	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 Prep Main Band - Basic CDCl3 + Acetone-d6 Group DeBo_G
28	09:20:37	20241031-0915-B400_B.14-28	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-298 crude CH2Br2 Group Procter_D
27	09:16:10	20241031-0915-B400_B.14-27	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-297 crude CH2Br2 Group Procter_D
16	09:10:38	20241031-0903-B400_B.14-16	11	P31_CPD_Day	m56540yz	-	+	-	-	-	+	+	Ref mixed Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
16	09:05:50	20241031-0903-B400_B.14-16	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref mixed Group Schroder_M
1	08:58:20	20241031-0852-B400_B.14-1	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref pair-cathod-1-2 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	08:12:37	20241031-0806-B400_B.14-36	11	H1_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-F Group Riddell_I
35	08:06:09	20241031-0805-B400_B.14-35	10	H1_Night	m14269jw	+	+	-	+	x	+	+	Ref IR-JW-2067-E-Iso Group Riddell_I	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
11	03:27:50	20241030-2122-B400_B.14-11	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref pair-cathode-1 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	03:21:12	20241030-2122-B400_B.14-12	10	H1_WaterSupp_Day	f56027ch	+	+	-	+	+	+	+	Ref pair-anode-2 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	03:20:45	20241030-2122-B400_B.14-13	10	H1_WaterSupp_Day	f56027ch	-	-	-	-	-	-	-	Ref unpair-cathode-3 Group Schroder_M
51	03:16:30	20241030-2040-B400_B.14-51	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-Z-DAlaNHtBu Group Webb_S
50	03:11:50	20241030-2040-B400_B.14-50	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-267b Group Webb_S
8	03:06:52	20241030-1916-B400_B.14-8	10	H1_Day	d14195za	+	+	-	+	+	+	+	Ref za-163 obz Group Gardiner_J
7	02:58:25	20241030-1914-B400_B.14-7	16	C13_DEPT135_Night	d14195za	-	+	-	-	-	+	+	Ref za-177 Group Gardiner_J	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	02:40:01	20241030-1914-B400_B.14-7	15	H1_C13_HMBC_US_Night	d14195za	-	+	-	-	-	+	+	Ref za-177 Group Gardiner_J
7	02:25:34	20241030-1914-B400_B.14-7	14	C13_CPD_Night256	d14195za	-	+	-	-	-	+	+	Ref za-177 Group Gardiner_J	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	02:01:21	20241030-1914-B400_B.14-7	13	H1_C13_HSQCed_Night	d14195za	-	+	-	-	-	+	+	Ref za-177 Group Gardiner_J	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
7	01:59:10	20241030-1914-B400_B.14-7	12	H1_Night	d14195za	-	+	-	-	-	+	+	Ref za-177 Group Gardiner_J
7	01:47:24	20241030-1914-B400_B.14-7	11	H1_COSY_HiRes_Night	d14195za	-	+	-	-	-	+	+	Ref za-177 Group Gardiner_J
7	01:42:08	20241030-1914-B400_B.14-7	10	H1_Day	d14195za	+	+	-	+	+	+	+	Ref za-177 Group Gardiner_J
10	01:28:56	20241030-1849-B400_B.14-10	13	H1_P31_HSQC_Night	m56540yz	-	+	-	-	-	+	+	Ref mix Group Schroder_M
10	01:13:59	20241030-1849-B400_B.14-10	12	C13_CPD_Night256	m56540yz	-	+	-	-	-	+	+	Ref mix Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	00:46:46	20241030-1849-B400_B.14-10	11	P31_CPD_Night	m56540yz	-	+	-	-	-	+	+	Ref mix Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Schroder_M/data/m56540yz/nmr/20241030-1849-B400_B.14-10/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Schroder_M/data/m56540yz/nmr/20241030-1849-B400_B.14-10/11/pdata/1/peaks!
10	00:41:32	20241030-1849-B400_B.14-10	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref mix Group Schroder_M
56	00:33:04	20241030-1824-B400_B.14-56	13	C13_DEPT135_Night	r64579jc	-	+	-	-	-	+	+	Ref 525 p Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56	00:18:10	20241030-1824-B400_B.14-56	12	C13_CPD_Night256	r64579jc	-	+	-	-	-	+	+	Ref 525 p Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56	00:16:01	20241030-1824-B400_B.14-56	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 525 p Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56	00:11:59	20241030-1824-B400_B.14-56	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 525 p Group Larrosa_I
55	00:09:25	20241030-1824-B400_B.14-55	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 524 l Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55	00:05:01	20241030-1824-B400_B.14-55	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 524 l Group Larrosa_I
5	23:50:31	20241030-1806-B400_B.14-5	10	H1_Night128	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0033 Group DeBo_G
49	23:34:00	20241030-1744-B400_B.14-49	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241028-4a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48	23:17:26	20241029-1218-B400_B.14-48	13	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241028-2a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
47	23:00:39	20241030-1743-B400_B.14-47	12	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241028-1a-2 Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46	22:44:03	20241030-1722-B400_B.14-46	12	C13_CPD_Night256	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95u Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	22:27:40	20241030-1722-B400_B.14-45	12	C13_CPD_Night256	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95v Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44	22:11:02	20241030-1722-B400_B.14-44	12	C13_CPD_Night256	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95w Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42	21:53:38	20241030-1647-B400_B.14-42	11	C13_CPD_Night256	b50715cd	+	+	-	+	+	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - THF - 13C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41	21:50:59	20241030-1643-B400_B.14-41	14	P31_Extrawide_Day	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241030-1643-B400_B.14-41/14/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241030-1643-B400_B.14-41/14/pdata/1/peaks!
41	21:25:14	20241030-1643-B400_B.14-41	13	P31_NoCPD_Night	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
41	20:22:18	20241030-1643-B400_B.14-41	12	H1_P31_HMBC_Night	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M
41	20:19:39	20241030-1643-B400_B.14-41	11	P31_Extrawide_Day	v30463jm	-	+	-	-	-	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241030-1643-B400_B.14-41/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Mehta_M/data/v30463jm/nmr/20241030-1643-B400_B.14-41/11/pdata/1/peaks!
41	19:50:52	20241030-1643-B400_B.14-41	10	P31_Wide_Night	v30463jm	+	+	-	+	+	+	+	Ref GT112 Group Mehta_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
31	19:33:34	20241030-1554-B400_B.14-31	11	C13_CPD_Night256	b73025ag	+	+	-	+	+	+	+	Ref 26.2-DJP-AG Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	19:15:09	20241030-1124-B400_B.14-4	12	H1_C13_HMBC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 522 prod 2 Group Larrosa_I
4	19:02:20	20241030-1124-B400_B.14-4	11	H1_C13_HSQC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 522 prod 2 Group Larrosa_I
4	18:57:20	20241030-1124-B400_B.14-4	10	H1_Night	r64579jc	+	+	-	+	+	+	+	Ref 522 prod 2 Group Larrosa_I
36	18:55:16	20241030-0942-B400_B.14-36	10	H1_Night128	m14269jw	+	+	-	x	-	-	-	Ref IR-JW-2067-F Group Riddell_I	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
35	18:52:32	20241030-0941-B400_B.14-35	11	H1_NOESY_US_Night	m14269jw	-	-	-	-	-	-	-	Ref IR_JW-2067-E-Iso Group Riddell_I
54	18:50:11	20241030-1824-B400_B.14-54	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 524 s Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	18:45:47	20241030-1824-B400_B.14-54	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 524 s Group Larrosa_I
53	18:43:28	20241030-1824-B400_B.14-53	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref pcy3 5 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
53	18:38:44	20241030-1824-B400_B.14-53	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref pcy3 5 Group Larrosa_I
52	18:35:48	20241030-1824-B400_B.14-52	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref pcy3 1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
52	18:31:16	20241030-1824-B400_B.14-52	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref pcy3 1 Group Larrosa_I
51	18:26:46	20241030-1822-B400_B.14-51	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-268 so pra ver Group P
50	18:21:03	20241030-1745-B400_B.14-50	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-044 rt 1h Group Mehta_M
49	18:16:46	20241030-1744-B400_B.14-49	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241028-4a Group Greaney_M
48	18:14:56	20241029-1218-B400_B.14-48	12	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241028-2a Group Greaney_M	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
48	18:10:52	20241029-1218-B400_B.14-48	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241028-2a Group Greaney_M
47	18:08:19	20241030-1743-B400_B.14-47	11	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241028-1a-2 Group Greaney_M	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
47	18:03:55	20241030-1743-B400_B.14-47	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241028-1a-2 Group Greaney_M
46	18:01:36	20241030-1722-B400_B.14-46	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref zhb-a-95u Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
46	17:57:38	20241030-1722-B400_B.14-46	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95u Group Procter_D
45	17:55:28	20241030-1722-B400_B.14-45	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref zhb-a-95v Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
45	17:51:25	20241030-1722-B400_B.14-45	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95v Group Procter_D
44	17:47:47	20241030-1722-B400_B.14-44	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref zhb-a-95w Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44	17:43:41	20241030-1722-B400_B.14-44	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95w Group Procter_D
43	17:31:07	20241030-1655-B400_B.14-43	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref zncl4 int Group Larrosa_I
42	17:28:59	20241030-1647-B400_B.14-42	13	P31_NoCPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - THF - 31P	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
42	17:26:04	20241030-1647-B400_B.14-42	12	P31_CPD_Day	b50715cd	-	+	-	-	-	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - THF - {1H}31P	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
42	17:21:47	20241030-1647-B400_B.14-42	10	H1_Day	b50715cd	+	+	-	+	+	+	+	Ref CD110 Group Goodwin_C CD110 - rcapg94 - THF - 1H
40	17:12:53	20241030-1642-B400_B.14-40	10	H1_Day	n37729zl	+	+	-	+	x	+	+	Ref 241028-4a Group Greaney_M	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
39	17:06:34	20241030-1354-B400_B.14-39	10	H1_Day	v43419jm	+	+	-	+	x	+	+	Ref JMG011CP Group Crisenza_G	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
38	17:04:42	20241030-1641-B400_B.14-38	11	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241028-2a 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
38	16:58:47	20241030-1641-B400_B.14-38	10	H1_Day	n37729zl	+	+	-	+	x	+	+	Ref 241028-2a Group Greaney_M	topshim: pushParameters - writing parameters from BSMS buffer to BSMS failed - error in BsmsControl::pushParameters: SI_4 : Parameter is out of static range, Shim failed
37	16:55:34	20241030-1641-B400_B.14-37	11	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241028-1a 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
37	16:50:00	20241030-1641-B400_B.14-37	10	H1_Day	n37729zl	+	+	-	+	x	+	+	Ref 241028-1a Group Greaney_M	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
34	16:44:27	20241030-1640-B400_B.14-34	10	H1_Day	z65435tw	+	+	-	+	x	+	+	Ref tw-rec03-1h-cdcl3 Group Crisenza_G	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
33	16:41:39	20241030-1632-B400_B.14-33	11	F19_CPD_Day	n06287cb	-	+	-	-	-	+	+	Ref IL-CB-565 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
33	16:35:53	20241030-1632-B400_B.14-33	10	H1_Day	n06287cb	+	+	-	+	x	+	+	Ref IL-CB-565 Group Larrosa_I	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
32	16:29:02	20241030-1554-B400_B.14-32	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2.2-Last Group Procter_D
31	16:24:25	20241030-1554-B400_B.14-31	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 26.2-DJP-AG Group Procter_D
28	16:20:21	20241030-1351-B400_B.14-28	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H8t0 Group Gibson_M
27	16:16:17	20241030-1351-B400_B.14-27	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G8t0 Group Gibson_M
26	16:15:58	20241030-1349-B400_B.14-26	10	H1_Day	b50715cd	-	-	-	-	-	-	-	Ref CD110 Group Goodwin_C CD110 - rcapg94 - d8-THF - 1H
22	15:58:33	20241030-1558-B400_B.12-22	10	H1_make_shim.icon	service	+	+	-	+	+	+	+	Ref sucrose shim Group Service
25	14:49:50	20241030-1332-B400_B.14-25	10	H1_Day	a74776dr	+	+	-	x	-	-	-	Ref DJP-DR-1-105 Group Procter_D	Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is OFF, Command 'lock CDCl3' failed. Lock is PENDING
24	14:47:21	20241030-1332-B400_B.14-24	10	H1_Day	a74776dr	+	+	-	x	-	-	-	Ref DJP-DR-1-110-cr Group Procter_D	Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is OFF, Command 'lock CDCl3' failed. Lock is OFF
23	13:57:39	20241030-1326-B400_B.14-23	11	Si29_CPD_Day	p69506xd	-	-	-	-	-	-	-	Ref CbTMS-Sublimated-bottom of sublimator Group Liddle_S
23	13:51:52	20241030-1326-B400_B.14-23	10	H1_Day	p69506xd	+	+	-	+	+	+	+	Ref CbTMS-Sublimated-bottom of sublimator Group Liddle_S
22	13:45:38	20241030-1234-B400_B.14-22	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-044 overnight Group Mehta_M
18	13:41:07	20241030-1227-B400_B.14-18	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-066 C2 F8 Group Riddell_I
17	13:36:07	20241028-1549-B400_B.14-17	11	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref o-me phpy? Group Larrosa_I
16	13:32:03	20241030-1201-B400_B.14-16	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F8t0 Group Gibson_M
15	13:27:55	20241030-1201-B400_B.14-15	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E8t0 Group Gibson_M
13	13:22:41	20241030-1320-B400_B.14-13	10	H1_Day	f14199vs	+	+	-	+	+	+	+	Ref vs-n-hel-4-3f Group Keerthi_A
14	13:18:35	20241030-1201-B400_B.14-14	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D8t0 Group Gibson_M
13	13:13:12	20241030-1215-B400_B.14-13	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.7NH2Aib3OtBu Group Webb_S
12	13:11:01	20241030-1208-B400_B.14-12	12	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-6 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
12	13:06:19	20241030-1208-B400_B.14-12	11	F19_Quant_D1_8s_Day	b72547am	-	+	-	-	-	+	+	Ref 4-6 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
12	13:02:16	20241030-1208-B400_B.14-12	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 4-6 Group Larrosa_I
11	13:00:01	20241030-1208-B400_B.14-11	12	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-5 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
11	12:53:49	20241030-1208-B400_B.14-11	11	F19_Quant_D1_8s_Day	b72547am	-	+	-	-	-	+	+	Ref 4-5 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
11	12:49:28	20241030-1208-B400_B.14-11	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 4-5 Group Larrosa_I
10	12:45:26	20241030-1201-B400_B.14-10	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C8t0 Group Gibson_M
9	12:41:23	20241030-1201-B400_B.14-9	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B8t0 Group Gibson_M
8	12:37:11	20241030-1201-B400_B.14-8	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A8t0 Group Gibson_M
7	12:34:51	20241030-1159-B400_B.14-7	11	P31_Wide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS167_chk Group Willcox_D	sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
7	12:31:15	20241030-1159-B400_B.14-7	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS167_chk Group Willcox_D
6	12:28:38	20241030-1159-B400_B.14-6	11	P31_Wide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS550_chk_DCM Group Willcox_D bubbled - dark soln	sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
6	12:24:52	20241030-1159-B400_B.14-6	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS550_chk_DCM Group Willcox_D bubbled - dark soln
5	12:19:40	20241030-1136-B400_B.14-5	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH005HBPO-C Group Greaney_M
3	12:14:24	20241029-1538-B400_B.14-3	11	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-284 3 fraction Group Procter_D
2	12:09:22	20241030-1114-B400_B.14-2	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H66f (c) Group Larrosa_I
1	12:06:57	20241030-1120-B400_B.14-1	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 523 prod Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	12:02:27	20241030-1120-B400_B.14-1	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 523 prod Group Larrosa_I
60	11:58:39	20241030-1117-B400_B.14-60	10	F19_NoCPD_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-3F5FPhImMePF6 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
59	11:53:45	20241030-1114-B400_B.14-59	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H66c (c) Group Larrosa_I
58	11:48:13	20241030-1113-B400_B.14-58	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H66a (c) Group Larrosa_I
57	11:42:05	20241030-1112-B400_B.14-57	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 28.1-DJP-AG Group Procter_D
56	11:37:00	20241030-1112-B400_B.14-56	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2.2-DJP-AG Group Procter_D
55	11:32:32	20241030-1107-B400_B.14-55	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL083-2 Group Procter_D
54	11:30:34	20241030-1102-B400_B.14-54	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ268 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
54	11:25:36	20241030-1102-B400_B.14-54	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ268 Group Procter_D
53	11:19:49	20241030-1102-B400_B.14-53	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ266_WU Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
53	11:15:18	20241030-1102-B400_B.14-53	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ266_WU Group Procter_D
52	11:12:15	20241030-1047-B400_B.14-52	11	B11_CPD_Day	p12053vc	-	+	-	-	-	+	+	Ref VC1402B Group Procter_D	sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/p12053vc/nmr/20241030-1047-B400_B.14-52/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/p12053vc/nmr/20241030-1047-B400_B.14-52/11/pdata/1/peaks!
52	11:07:58	20241030-1047-B400_B.14-52	10	B11_NoCPD_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1402B Group Procter_D	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 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/p12053vc/nmr/20241030-1047-B400_B.14-52/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Procter_D/data/p12053vc/nmr/20241030-1047-B400_B.14-52/10/pdata/1/peaks!
51	11:03:30	20241030-1042-B400_B.14-51	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1638 Group Procter_D
50	10:58:46	20241030-1040-B400_B.14-49	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902Flush Group Crisenza_G
49	10:54:18	20241030-1040-B400_B.14-48	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902FB Group Crisenza_G
47	10:49:53	20241030-1042-B400_B.14-47	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1637 Group Procter_D
46	10:45:00	20241030-1039-B400_B.14-46	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-668 Group DeBo_G
45	10:40:00	20241030-1032-B400_B.14-45	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-di-me-btso Group Procter_D
44	10:35:29	20241030-1017-B400_B.14-44	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-14 Group Trowbridge_A
43	10:29:55	20241030-1007-B400_B.14-43	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_7 Group Bures_J
42	10:18:15	20241030-1001-B400_B.14-42	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 2 d cdcl3 Group Larrosa_I
41	10:13:59	20241030-0959-B400_B.14-41	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-enal Group Procter_D
40	10:09:30	20241030-0959-B400_B.14-40	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-121-2a Group Procter_D
39	10:05:01	20241030-0944-B400_B.14-39	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902P2Pure2 Group Crisenza_G
38	10:00:33	20241030-0944-B400_B.14-38	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902P1impure Group Crisenza_G
37	09:55:46	20241030-0944-B400_B.14-37	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902P1Pure2 Group Crisenza_G
35	09:41:59	20241030-0941-B400_B.14-35	10	H1_Night128	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-Iso Group Riddell_I
54	09:36:02	20241030-0930-B400_B.14-54	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-058 Group Procter_D
53	09:31:38	20241030-0930-B400_B.14-53	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-057 Group Procter_D
1	09:12:38	20241030-0907-B400_B.14-1	11	H1_Quant_D1_25s_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 2 d Group Larrosa_I
1	09:08:19	20241030-0907-B400_B.14-1	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 2 d Group Larrosa_I
9	08:59:31	20241030-0843-B400_B.14-9	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN 1470 Mixture after 48 h - Basic CDCl3 Group DeBo_G
8	08:54:59	20241030-0842-B400_B.14-8	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN 2,3,3-trimethylindolenine - Basic CDCl3 Group DeBo_G
7	08:49:58	20241030-0842-B400_B.14-7	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN715 Crude - Basic CDCl3 Group DeBo_G
6	08:38:17	20241029-1542-B400_B.14-6	15	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 d20 Group Larrosa_I
15	08:17:58	20241030-0817-B400_B.14-15	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-293 seg fraction Group Procter_D
14	07:52:06	20241030-0751-B400_B.14-14	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 Crude after workup - Basic CDCl3 Group DeBo_G
32	01:12:03	20241029-2307-B400_B.14-32	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e492 p2 Group DeBo_G
31	01:09:28	20241029-2055-B400_B.14-31	11	F19_CPD_Day	z65435tw	-	+	-	-	-	+	+	Ref tw-756-c-19f-cdcl3 Group Crisenza_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
31	01:04:40	20241029-2055-B400_B.14-31	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-756-c-1h-cdcl3 Group Crisenza_G
30	00:46:16	20241029-1929-B400_B.14-30	14	H1_C13_HMBC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 522 prod Group Larrosa_I
30	00:27:51	20241029-1929-B400_B.14-30	13	H1_C13_HMBC_US_Night	r64579jc	-	+	-	-	-	+	+	Ref 522 prod Group Larrosa_I
30	00:13:06	20241029-1929-B400_B.14-30	12	C13_CPD_Night256	r64579jc	-	+	-	-	-	+	+	Ref 522 prod Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	00:01:13	20241029-1929-B400_B.14-30	11	H1_COSY_HiRes_Night	r64579jc	-	+	-	-	-	+	+	Ref 522 prod Group Larrosa_I
30	23:56:23	20241029-1929-B400_B.14-30	10	H1_Night	r64579jc	+	+	-	+	+	+	+	Ref 522 prod Group Larrosa_I
29	23:51:54	20241029-1929-B400_B.14-29	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 522 c2 Group Larrosa_I
28	23:47:20	20241029-1916-B400_B.14-28	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b Group Webb_S
27	23:42:49	20241029-1916-B400_B.14-27	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e492 p1 Group DeBo_G
26	23:38:05	20241029-1912-B400_B.14-26	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-293 origem Group Procter_D
51	23:32:33	20241029-1850-B400_B.14-51	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_14 Group Bures_J
50	23:26:55	20241029-1849-B400_B.14-50	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_13 Group Bures_J
46	23:21:27	20241029-1727-B400_B.14-46	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_12 Group Bures_J
45	23:15:32	20241029-1726-B400_B.14-45	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_11 Group Bures_J
4	22:58:55	20241029-1712-B400_B.14-4	11	C13_CPD_Night256	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 1c Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	22:42:15	20241029-1711-B400_B.14-2	11	C13_CPD_Night256	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 1b Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	22:25:21	20241029-1709-B400_B.14-1	11	C13_CPD_Night256	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 1a Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
8	22:13:28	20241029-1619-B400_B.14-8	15	H1_COSY_HiRes_Night	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 dry? Group Larrosa_I
8	21:28:06	20241029-1619-B400_B.14-8	14	F19_Quant_D35_Night	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 dry? 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	21:13:12	20241029-1619-B400_B.14-8	13	C13_CPD_Night256	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 dry? Group Larrosa_I
8	21:06:23	20241029-1619-B400_B.14-8	12	F19_NoCPD_Night	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 dry? 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	20:57:14	20241029-1619-B400_B.14-8	11	F19_CPD_Night	n38871ln	+	+	-	+	+	+	+	Ref ln41-1 dry? Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	20:30:43	20241029-1542-B400_B.14-6	14	P31_CPD_Night	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 d20 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1542-B400_B.14-6/14/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1542-B400_B.14-6/14/pdata/1/peaks!
6	20:13:38	20241029-1542-B400_B.14-6	13	C13_CPD_Night256	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 d20 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	19:57:13	20241029-1630-B400_B.14-11	11	C13_CPD_Night256	j21190dp	+	+	-	+	+	+	+	Ref ak dp 09 c13 Group Keerthi_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	19:42:42	20241029-1622-B400_B.14-10	11	C13_CPD_Night256	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 aliquot Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	19:34:02	20241029-1622-B400_B.14-10	10	H1_Quant_Night	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 aliquot Group Larrosa_I
25	19:17:29	20241029-1448-B400_B.14-25	11	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0030-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24	19:00:17	20241029-1446-B400_B.14-24	11	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0029-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	18:58:15	20241029-1232-B400_B.14-36	11	H1_COSY_HiRes_Night	m14269jw	+	+	-	x	-	-	-	Ref IR-JW-2067-F Group Riddell_I	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
35	18:56:03	20241029-1230-B400_B.14-35	13	H1_NOESY_US_Night	m14269jw	-	-	-	-	-	-	-	Ref IR-JW-2067-E Group Riddell_I
44	18:50:23	20241029-1725-B400_B.14-44	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_10 Group Bures_J
43	18:48:35	20241029-1818-B400_B.14-43	11	F19_NoCPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-AF4C Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
43	18:43:34	20241029-1818-B400_B.14-43	10	F19_CPD_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF4C 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	18:34:29	20241029-1815-B400_B.14-42	10	H1_Day	m77881am	+	+	-	+	x	+	+	Ref DJP-AL-295 crude Group Procter_D	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
41	18:29:45	20241029-1814-B400_B.14-41	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-284 crude 2x Group Procter_D
40	18:24:02	20241029-1724-B400_B.14-40	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_9 Group Bures_J
39	18:18:31	20241029-1723-B400_B.14-39	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_8 Group Bures_J
38	18:07:41	20241029-1722-B400_B.14-38	10	H1_Quant_D1_25s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_7 Group Bures_J	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Bures_J/data/h18549ms/nmr/20241029-1722-B400_B.14-38/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Bures_J/data/h18549ms/nmr/20241029-1722-B400_B.14-38/10/pdata/1/peaks!
34	18:02:13	20241029-1720-B400_B.14-34	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_6 Group Bures_J
33	17:56:41	20241029-1719-B400_B.14-33	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_5 Group Bures_J
32	17:51:10	20241029-1718-B400_B.14-32	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_4 Group Bures_J
28	17:45:41	20241029-1717-B400_B.14-28	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_3 Group Bures_J
27	17:40:10	20241029-1716-B400_B.14-27	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_2 Group Bures_J
26	17:34:23	20241029-1715-B400_B.14-26	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_026_1 Group Bures_J
4	17:29:30	20241029-1712-B400_B.14-4	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 1c Group Webb_S
2	17:24:39	20241029-1711-B400_B.14-2	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 1b Group Webb_S
1	17:19:38	20241029-1709-B400_B.14-1	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 1a Group Webb_S
41	17:16:42	20241029-1510-B400_B.14-41	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 4-cn py oet 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
41	17:11:53	20241029-1510-B400_B.14-41	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 4-cn py oet Group Greaney_M
25	17:07:34	20241029-1448-B400_B.14-25	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0030 Group DeBo_G
24	17:02:46	20241029-1446-B400_B.14-24	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0029 Group DeBo_G
13	16:58:01	20241029-1634-B400_B.14-13	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902P2 Group Crisenza_G
12	16:53:17	20241029-1634-B400_B.14-12	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902P1 Group Crisenza_G
11	16:49:16	20241029-1630-B400_B.14-11	10	H1_Day	j21190dp	+	+	-	+	+	+	+	Ref ak dp 09 Group Keerthi_A
9	16:46:16	20241029-1624-B400_B.14-9	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref LaN"3 Group Liddle_S
8	16:41:47	20241029-1619-B400_B.14-8	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln41-1 dry? Group Larrosa_I
7	16:39:39	20241029-1543-B400_B.14-7	11	P31_NoCPD_Day	n38871ln	-	+	-	-	-	+	+	Ref k3po4 d20 Group Larrosa_I	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
7	16:35:01	20241029-1543-B400_B.14-7	10	P31_CPD_Day	n38871ln	+	+	-	+	+	+	+	Ref k3po4 d20 Group Larrosa_I	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
6	16:32:54	20241029-1542-B400_B.14-6	12	P31_NoCPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 d20 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1542-B400_B.14-6/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1542-B400_B.14-6/12/pdata/1/peaks!
6	16:30:40	20241029-1542-B400_B.14-6	11	P31_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 d20 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1542-B400_B.14-6/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'D2O' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1542-B400_B.14-6/11/pdata/1/peaks!
6	16:19:25	20241029-1542-B400_B.14-6	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 d20 Group Larrosa_I
5	16:15:26	20241029-1540-B400_B.14-5	10	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-172-5h Group Shaver_M
4	16:11:06	20241029-1540-B400_B.14-4	10	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-172-4h Group Shaver_M
3	16:08:07	20241029-1538-B400_B.14-3	10	H1_Day	t13367jb	-	-	-	-	-	-	-	Ref mfg-jb-03-142-c Group Greaney_M mfg-jb-03-142-c
2	16:00:02	20241029-1531-B400_B.14-2	10	H1_Day	a17560mt	+	+	-	+	+	+	+	Ref REPW-MT004 F4 Group Winpenny_R
1	15:55:57	20241029-1530-B400_B.14-1	10	H1_Day	a17560mt	+	+	-	+	x	+	+	Ref REPW-MT004 F3 Group Winpenny_R	topshim: TopshimFieldMap - no valid data in sample centre, Shim failed
60	15:51:28	20241029-1528-B400_B.14-60	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-3F5FDM Group Larrosa_I
59	15:47:14	20241029-1527-B400_B.14-59	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-2F5FDM Group Larrosa_I
58	15:42:57	20241029-1527-B400_B.14-58	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-2M5FDM Group Larrosa_I
57	15:38:29	20241029-1525-B400_B.14-57	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-2M5FDE Group Larrosa_I
56	15:33:43	20241029-1514-B400_B.14-56	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1640 Group Procter_D
55	15:28:50	20241029-1514-B400_B.14-55	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1639 Group Procter_D
54	15:23:24	20241029-1512-B400_B.14-54	10	P31_CPD_Day	n38871ln	+	+	-	+	+	+	+	Ref k3po4 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1512-B400_B.14-54/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1512-B400_B.14-54/10/pdata/1/peaks!
53	15:20:50	20241029-1511-B400_B.14-53	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 4-cn py oet 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
53	15:16:21	20241029-1511-B400_B.14-53	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 4-cn py oet Group Greaney_M
52	15:10:31	20241029-1502-B400_B.14-52	10	H1_Day	w55864co	+	+	-	+	+	+	+	Ref IL_COM3.2 crude Group Larrosa_I
40	15:05:26	20241029-1452-B400_B.14-40	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1472 EtOH-washed precip. - Basic CDCl3 Group DeBo_G
39	15:01:31	20241029-1444-B400_B.14-39	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-89 Group Procter_D
38	14:57:33	20241029-1444-B400_B.14-38	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-105 Group Procter_D
37	14:55:08	20241029-1353-B400_B.14-37	12	P31_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 purish Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1353-B400_B.14-37/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/n38871ln/nmr/20241029-1353-B400_B.14-37/12/pdata/1/peaks!
37	14:43:17	20241029-1353-B400_B.14-37	11	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 purish Group Larrosa_I
37	14:05:14	20241029-1353-B400_B.14-37	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 purish Group Larrosa_I
36	13:50:40	20241029-1232-B400_B.14-36	10	H1_Night128	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-F Group Riddell_I
35	13:46:39	20241029-1230-B400_B.14-35	12	H1_Night	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E Group Riddell_I
38	13:41:57	20241029-1338-B400_B.14-38	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH4301SUE-C Group Greaney_M
37	13:37:21	20241029-1331-B400_B.14-37	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-434-b Group Procter__D
35	13:25:35	20241029-1230-B400_B.14-35	11	H1_COSY_HiRes_Night	m14269jw	-	+	-	-	-	+	+	Ref IR-JW-2067-E Group Riddell_I
35	13:11:54	20241029-1230-B400_B.14-35	10	H1_Night128	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E Group Riddell_I
51	13:07:08	20241029-1252-B400_B.14-51	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-360 Group Greaney_M
50	13:02:34	20241029-1251-B400_B.14-50	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-359-2 Group Greaney_M
49	12:57:19	20241029-1239-B400_B.14-49	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL089-crude Group Procter_D
48	12:55:11	20241029-1218-B400_B.14-48	10	H1_Day	c62220rg	-	-	-	-	-	-	-	Ref at-rg-3-32d Group Trowbridge_A
47	12:50:13	20241029-1249-B400_B.14-47	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN Immediately after NBS - Basic CDCl3 Group DeBo_G
46	12:45:07	20241029-1228-B400_B.14-46	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL088-crude Group Procter_D
45	12:38:07	20241029-1228-B400_B.14-45	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL087-crude Group Procter_D
44	12:30:19	20241029-1218-B400_B.14-44	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-32c Group Trowbridge_A
43	12:25:33	20241029-1218-B400_B.14-43	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-32b Group Trowbridge_A
42	12:20:31	20241029-1218-B400_B.14-42	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-32a Group Trowbridge_A
41	12:12:25	20241029-1202-B400_B.14-41	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK045 1 2 in chloro Group Gibson_M JK045 1 2 in chloro
41	12:07:34	20241029-1202-B400_B.14-41	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK045 1 2 in chloro Group Gibson_M JK045 1 2 in chloro
23	12:03:07	20241029-1156-B400_B.14-23	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-C F16-20 Group Procter_D
22	12:00:51	20241029-1151-B400_B.14-22	11	H1_Day	b72547am	-	+	-	-	-	+	+	Ref 4-4R2 Group Larrosa_I
22	11:54:19	20241029-1151-B400_B.14-22	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-4R2 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
18	11:51:51	20241029-1146-B400_B.14-18	11	F19_CPD_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-432-ac1 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
18	11:47:22	20241029-1146-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-432-ac1 Group Procter_D
8	11:40:47	20241029-1116-B400_B.14-8	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ263 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
8	11:36:28	20241029-1116-B400_B.14-8	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ263 Group Procter_D
7	11:31:46	20241029-1116-B400_B.14-7	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ262_2 Group Procter_D
6	11:23:05	20241029-1116-B400_B.14-6	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ266 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5	11:21:45	20241029-1103-B400_B.14-5	11	H1_ExtraWide_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 18 hr cdcl3 Group Larrosa_I
5	11:10:15	20241029-1103-B400_B.14-5	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 18 hr cdcl3 Group Larrosa_I
4	11:05:45	20241029-1028-B400_B.14-4	10	H1_Day	mbds07706tl	+	+	-	+	+	+	+	Ref MG-TYL031PO Group Other MG-TYL031PO literature
3	11:01:09	20241029-1027-B400_B.14-3	10	H1_Day	mbds07706tl	+	+	-	+	+	+	+	Ref MG-TYL030P Group Other MG-TYL030P degraded
55	10:51:46	20241029-1041-B400_B.14-55	11	H1_Quant_D1_25s_Day	n38871ln	-	+	-	-	-	+	+	Ref ln42-1 18 hr Group Larrosa_I
55	10:47:37	20241029-1041-B400_B.14-55	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln42-1 18 hr Group Larrosa_I
54	10:42:45	20241029-1030-B400_B.14-54	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-14 Group Trowbridge_A
53	10:38:14	20241029-1030-B400_B.14-53	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-11 Group Trowbridge_A
52	10:33:09	20241029-1029-B400_B.14-52	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-10 Group Trowbridge_A
51	10:26:55	20241029-1015-B400_B.14-51	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK045-2 in chloro Group Gibson_M JK045-2 in chloro
51	10:21:58	20241029-1015-B400_B.14-51	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK045-2 in chloro Group Gibson_M JK045-2 in chloro
24	10:16:10	20241029-0952-B400_B.14-24	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide Diamine Catalyst Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24	10:11:12	20241029-0952-B400_B.14-24	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide Diamine Catalyst Group Larrosa_I
23	10:06:25	20241029-0951-B400_B.14-23	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Boronic Complex Ru urea 70 C 3 h Group Larrosa_I
23	10:03:18	20241029-0951-B400_B.14-23	10	H1_Day	u50028ip	+	+	-	+	-	+	+	Ref Boronic Complex Ru urea 70 C 3 h 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/u50028ip/nmr/20241029-0951-B400_B.14-23/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241029-0951-B400_B.14-23/10/pdata/1/peaks!
22	09:58:18	20241029-0951-B400_B.14-22	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Benzyl amine + CF3 urea 70 C 3 h Group Larrosa_I
22	09:55:08	20241029-0951-B400_B.14-22	10	H1_Day	u50028ip	+	+	-	+	-	+	+	Ref Benzyl amine + CF3 urea 70 C 3 h 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/u50028ip/nmr/20241029-0951-B400_B.14-22/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241029-0951-B400_B.14-22/10/pdata/1/peaks!
18	09:48:48	20241029-0943-B400_B.14-18	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK045 in chloro Group Gibson_M JK045 in chloro
18	09:44:13	20241029-0943-B400_B.14-18	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK045 in chloro Group Gibson_M JK045 in chloro
36	09:26:13	20241029-0914-B400_B.14-36	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-F Group Riddell_I
35	09:21:42	20241029-0914-B400_B.14-35	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-E-Iso Group Riddell_I
34	09:12:38	20241029-0909-B400_B.14-34	10	H1_Day	n67799bm	+	+	-	+	+	+	+	Ref 40mgPS Group Schroder_M
33	09:08:39	20241029-0908-B400_B.14-33	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1469 - Acetone-d6 Group DeBo_G
32	09:05:38	20241029-0852-B400_B.14-32	10	H1_Day	mbdxkrn2	+	+	-	+	-	+	+	Ref GDB-RN1471 Crude - Basic CDCl3 Group DeBo_G	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/DeBo_G/data/mbdxkrn2/nmr/20241029-0852-B400_B.14-32/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/DeBo_G/data/mbdxkrn2/nmr/20241029-0852-B400_B.14-32/10/pdata/1/peaks!
32	08:56:58	20241029-0852-B400_B.14-32	10	H1_Day	mbdxkrn2	-	-	-	-	-	-	-	Ref GDB-RN1471 Crude - Basic CDCl3 Group DeBo_G
31	08:52:21	20241029-0851-B400_B.14-31	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1470 Mixture after 22h - Acetone-d6 Group DeBo_G
48	08:18:23	20241029-0817-B400_B.14-48	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-294 M2 Group Procter_D
47	08:04:49	20241029-0804-B400_B.14-47	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN Crude 2 - Basic CDCl3 Group DeBo_G
1	07:30:01	20241029-0729-B400_B.14-1	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB077 Group Procter_D
1	07:29:02	20241029-0728-B400_B.14-1	10	H1_Quant_NS1_Day	w57618gb	x	-	-	-	-	-	-	Ref DJP-GB077 Group Procter_D	WebService Error: 117.310.272:Insert Error:There is no sample in position '1'.
16	00:32:02	20241028-1937-B400_B.14-16	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-242 Group DeBo_G
50	00:17:33	20241028-1756-B400_B.14-50	13	C13_CPD_Night256	n38871ln	-	+	-	-	-	+	+	Ref LN42-1 purish Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
50	00:13:07	20241028-1756-B400_B.14-50	12	H1_Night	n38871ln	+	+	-	+	+	+	+	Ref LN42-1 purish Group Larrosa_I
32	00:08:40	20241028-1839-B400_B.14-32	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-315-2h Group James_M
31	00:03:49	20241028-1839-B400_B.14-31	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-315-90 Group James_M
30	23:58:57	20241028-1839-B400_B.14-30	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-314-2h Group James_M
24	23:49:40	20241028-1837-B400_B.14-24	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	x	+	+	Ref MJJ-JDL-02-314-90 Group James_M	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
23	23:45:14	20241028-1837-B400_B.14-23	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-313-2h 40 Group James_M
22	23:40:12	20241028-1837-B400_B.14-22	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-313-2h Group James_M
13	23:35:46	20241028-1835-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-312-2h 40 Group James_M
12	23:30:58	20241028-1835-B400_B.14-12	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-312-2h Group James_M
11	23:25:53	20241028-1835-B400_B.14-11	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-5h Group James_M
2	23:11:17	20241028-1818-B400_B.14-2	11	C13_CPD_Night256	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-122-1a Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	23:06:45	20241028-1818-B400_B.14-2	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-122-1a Group Procter_D
1	23:02:07	20241028-1806-B400_B.14-1	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP_GB070_F3 Group Procter_D
57	22:58:15	20241028-1805-B400_B.14-57	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB076 Group Procter_D
56	22:54:09	20241028-1805-B400_B.14-56	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB075 Group Procter_D
55	22:49:30	20241028-1801-B400_B.14-55	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e491 p2 Group DeBo_G
60	22:44:42	20241028-1730-B400_B.14-60	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-315-60 Group James_M
54	22:39:42	20241028-1730-B400_B.14-54	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-314-60 Group James_M
45	22:30:56	20241028-1722-B400_B.14-45	13	C13_DEPT135_Night	k64888zx	-	+	-	-	-	+	+	Ref zx356 4h tol-d8 Group Shaver_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	22:04:44	20241028-1722-B400_B.14-45	12	P31_Wide_Night	k64888zx	-	+	-	-	-	+	+	Ref zx356 4h tol-d8 Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0
45	21:49:53	20241028-1722-B400_B.14-45	11	C13_CPD_Night256	k64888zx	-	+	-	-	-	+	+	Ref zx356 4h tol-d8 Group Shaver_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	21:44:32	20241028-1722-B400_B.14-45	10	H1_Night	k64888zx	+	+	-	+	+	+	+	Ref zx356 4h tol-d8 Group Shaver_M
44	21:18:42	20241028-1721-B400_B.14-44	11	P31_Wide_Night	k64888zx	-	+	-	-	-	+	+	Ref zx354-c-polystpph2cl2-tol-d8 Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0
44	21:13:53	20241028-1721-B400_B.14-44	10	H1_Night	k64888zx	+	+	-	+	+	+	+	Ref zx354-c-polystpph2cl2-tol-d8 Group Shaver_M
43	21:11:13	20241028-1720-B400_B.14-43	11	H1_Night	k64888zx	-	+	-	-	-	+	+	Ref zx354-c-polystpph2cl2-cdcl3 Group Shaver_M
43	20:42:36	20241028-1720-B400_B.14-43	10	P31_Wide_Night	k64888zx	+	+	-	+	+	+	+	Ref zx354-c-polystpph2cl2-cdcl3 Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
59	20:37:53	20241028-1706-B400_B.14-59	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-315-30 Group James_M
58	20:33:01	20241028-1706-B400_B.14-58	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-315-10 Group James_M
53	20:27:53	20241028-1706-B400_B.14-53	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-314-30 Group James_M
29	20:10:59	20241028-1625-B400_B.14-29	11	C13_CPD_Night256	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-106-3 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	19:43:01	20241028-1005-B400_B.14-10	11	P31_CPD_Night	m56540yz	+	+	-	+	+	+	+	Ref phosphornate 2nd Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
8	19:14:50	20241028-1003-B400_B.14-8	11	P31_CPD_Night	m56540yz	+	+	-	+	+	+	+	Ref phosphonate-1st Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
51	18:57:26	20241028-1758-B400_B.14-51	11	C13_CPD_Night256	u36788yy	+	+	-	+	+	+	+	Ref 1.2N3AibOtBu Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	18:52:53	20241028-1706-B400_B.14-52	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-314-10 Group James_M
51	18:47:51	20241028-1758-B400_B.14-51	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.2N3AibOtBu Group Webb_S
50	18:38:28	20241028-1756-B400_B.14-50	11	H1_Quant_D1_25s_Day	n38871ln	-	+	-	-	-	+	+	Ref LN42-1 purish Group Larrosa_I
50	18:34:17	20241028-1756-B400_B.14-50	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref LN42-1 purish Group Larrosa_I
49	18:25:31	20241028-1725-B400_B.14-49	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM583 Group Bures_J
48	18:20:34	20241028-1703-B400_B.14-48	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-313-60 Group James_M
47	18:15:49	20241028-1703-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-313-30 Group James_M
46	18:10:41	20241028-1703-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-313-10 Group James_M
42	18:05:47	20241028-1703-B400_B.14-42	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-312-60 Group James_M
41	18:01:18	20241028-1703-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-312-30 Group James_M
40	17:56:21	20241028-1703-B400_B.14-40	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-312-10 Group James_M
39	17:51:40	20241028-1712-B400_B.14-39	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP Boronic complex + F2PhPy 0 min Group Larrosa_I
39	17:48:34	20241028-1712-B400_B.14-39	10	H1_Day	u50028ip	+	+	-	+	-	+	+	Ref NP Boronic complex + F2PhPy 0 min 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/u50028ip/nmr/20241028-1712-B400_B.14-39/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241028-1712-B400_B.14-39/10/pdata/1/peaks!
38	17:41:15	20241028-1712-B400_B.14-38	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-benzyl amine cy Urea CF3 + F2PhPy Group Larrosa_I
38	17:37:53	20241028-1712-B400_B.14-38	10	H1_Day	u50028ip	+	+	-	+	-	+	+	Ref NP-benzyl amine cy Urea CF3 + F2PhPy 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/u50028ip/nmr/20241028-1712-B400_B.14-38/10/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/u50028ip/nmr/20241028-1712-B400_B.14-38/10/pdata/1/peaks!
37	17:30:59	20241028-1711-B400_B.14-37	10	H1_WaterSupp_Day	j99905tw	+	+	-	+	+	+	+	Ref 1025-3 Group Yang_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	17:26:13	20241028-1701-B400_B.14-36	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-3h Group James_M
35	17:21:36	20241028-1701-B400_B.14-35	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-2h 15 Group James_M
34	17:16:48	20241028-1701-B400_B.14-34	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-1h 45 Group James_M
33	17:12:04	20241028-1700-B400_B.14-33	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1471 EtOAc-washed crude - Basic CDCl3 Group DeBo_G
32	17:07:48	20241028-1656-B400_B.14-32	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e491 p1 Group DeBo_G
31	17:02:48	20241028-1652-B400_B.14-31	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-mujze Group Procter_D
30	16:58:04	20241028-1629-B400_B.14-30	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054 F7-9 Group Procter_D
29	16:53:27	20241028-1625-B400_B.14-29	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-106-3 Group Procter_D
28	16:48:39	20241028-1622-B400_B.14-28	10	H1_Day	j99905tw	+	+	-	+	+	+	+	Ref 1025-3 Group Yang_S
27	16:42:30	20241028-1622-B400_B.14-27	10	H1_WaterSupp_Day	j99905tw	+	+	-	+	+	+	+	Ref 1025-2 Group Yang_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	16:34:28	20241028-1622-B400_B.14-26	10	H1_WaterSupp_Day	j99905tw	+	+	-	+	+	+	+	Ref 1025-1 Group Yang_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	16:30:12	20241028-1620-B400_B.14-25	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL-no2salt Group Procter_D
24	16:25:52	20241028-1620-B400_B.14-24	11	F19_CPD_Day	h31197yl	-	+	-	-	-	+	+	Ref DJP-YL-cf3salt Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24	16:21:25	20241028-1620-B400_B.14-24	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL-cf3salt Group Procter_D
23	16:14:44	20241028-1609-B400_B.14-23	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-434-a Group Procter_D
22	16:10:20	20241028-1608-B400_B.14-22	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-433-crude Group Procter_D
18	16:06:05	20241028-1605-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-158-(b)-col Group Greaney_M
23	16:00:06	20241028-1551-B400_B.14-23	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054 F10-12 Group Procter_D
22	15:55:24	20241028-1551-B400_B.14-22	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054 F1-3 Group Procter_D
18	15:51:01	20241028-1550-B400_B.14-18	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YLbenssalt Group Procter_D
17	15:49:36	20241028-1549-B400_B.14-17	10	H1_Day	h31197yl	x	-	-	-	-	-	-	Ref DJP-YL-benssalt Group Procter_D	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.17'.
49	15:29:30	20241028-1522-B400_B.14-49	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref KN" Group Liddle_S
58	15:23:43	20241028-1514-B400_B.14-58	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-038 A product in dixoane Group Mehta_M
48	15:17:28	20241028-1509-B400_B.14-48	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM684 Group Bures_J 0.1M 1,3-dinitrobenzene as IS 0.1 mol% AuCl2pic 2hrs rt
47	15:12:24	20241028-1508-B400_B.14-47	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF19 Group Larrosa_I af19
46	15:07:25	20241028-1503-B400_B.14-46	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg87 col Group Webb_S
45	15:03:07	20241028-1455-B400_B.14-45	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241025-3a Group Greaney_M
44	14:57:31	20241028-1441-B400_B.14-44	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-043 after py addition Group Mehta_M
43	14:53:02	20241028-1431-B400_B.14-43	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-752-p2-1h-cdcl3 Group Crisenza_G
42	14:49:03	20241028-0940-B400_B.14-42	15	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-171-4h Group Shaver_M
41	14:44:47	20241028-0924-B400_B.14-41	12	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-171-3h Group Shaver_M
40	14:40:29	20241028-1429-B400_B.14-40	10	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-171-2h Group Shaver_M
39	14:35:48	20241028-1410-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-75min Group James_M
38	14:30:46	20241028-1410-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-45min Group James_M
37	14:26:16	20241028-1410-B400_B.14-37	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-311-15min Group James_M
36	14:22:01	20241028-1403-B400_B.14-36	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-354D Group Procter_D
35	14:17:43	20241028-1403-B400_B.14-35	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-354C Group Procter_D
34	14:13:26	20241028-1403-B400_B.14-34	10	H1_Day	h55599rb	+	+	-	+	+	+	+	Ref RB-8-326 Group Procter_D
33	14:08:40	20241028-1401-B400_B.14-33	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-727-1-column1 Group DeBo_G
32	14:02:23	20241028-1349-B400_B.14-32	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM682 Group Bures_J
31	13:56:53	20241028-1353-B400_B.14-31	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN Crude - Basic CDCl3 Group DeBo_G
30	13:39:59	20241028-1313-B400_B.14-30	11	C13_CPD_Night256	z65435tw	+	+	-	+	+	+	+	Ref tw-742-p-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31	13:35:12	20241028-1313-B400_B.14-31	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-743-p-1h-cdcl3 Group Crisenza_G
30	13:30:44	20241028-1313-B400_B.14-30	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-742-p-1h-cdcl3 Group Crisenza_G
29	13:25:48	20241028-1256-B400_B.14-29	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB182 Group Crisenza_G
28	13:21:07	20241028-1256-B400_B.14-28	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref SE108 Group Crisenza_G
27	13:16:24	20241028-1252-B400_B.14-27	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg 13 Group Webb_S
26	13:11:40	20241028-1252-B400_B.14-26	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg4 8 Group Webb_S
25	13:06:39	20241028-1251-B400_B.14-25	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg 9 11 Group Webb_S
24	13:01:55	20241028-1248-B400_B.14-24	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF16B Group Larrosa_I repeat of AF16
23	12:52:31	20241028-1240-B400_B.14-23	12	H1_Quant_D1_25s_Day	b72547am	-	+	-	-	-	+	+	Ref 4-4 Group Larrosa_I
23	12:50:17	20241028-1240-B400_B.14-23	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-4 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
23	12:43:46	20241028-1240-B400_B.14-23	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	+	+	+	Ref 4-4 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
22	12:41:24	20241028-1236-B400_B.14-22	11	F19_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
22	12:36:58	20241028-1236-B400_B.14-22	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln41-1 Group Larrosa_I
16	12:30:57	20241028-1230-B400_B.14-16	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
15	12:22:52	20241028-1222-B400_B.14-15	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-727-1-crude Group DeBo_G
14	12:11:05	20241028-1210-B400_B.14-14	10	H1_Day	b50715cd	+	+	-	+	+	+	+	Ref CD108 Group Goodwin_C CD108 - foam - C6D6 - 1H
12	12:01:41	20241028-1201-B400_B.14-12	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-1a Group Procter_D
11	11:58:37	20241028-1158-B400_B.14-11	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref LaN"3 Group Liddle_S
11	11:57:10	20241028-1156-B400_B.14-11	10	H1_ExtraWide_Day	p93668sz	x	-	-	-	-	-	-	Ref LaN"3 Group Liddle_S	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.11'.
51	11:22:54	20241028-1054-B400_B.14-51	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241025-3c Group Greaney_M
50	11:18:16	20241028-1054-B400_B.14-50	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241025-2c Group Greaney_M
49	11:13:31	20241028-1054-B400_B.14-49	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241025-1c Group Greaney_M
48	11:10:50	20241028-1052-B400_B.14-48	11	F19_CPD_Day	h68355ac	-	+	-	-	-	+	+	Ref djp-oc-431-crude Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
48	11:06:15	20241028-1052-B400_B.14-48	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-431-crude Group Procter_D
47	10:59:41	20241028-1036-B400_B.14-47	10	H1_WaterSupp_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF Group Jones_S PKSPMA_Cleaved_28oct_D2O	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
46	10:55:30	20241028-1036-B400_B.14-46	10	H1_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF_AP Group Jones_S GMA_D2O
45	10:51:22	20241028-1035-B400_B.14-45	10	H1_Day	r44159mc	+	+	-	+	+	+	+	Ref MC_LF_AP Group Jones_S G_D2O
44	10:46:53	20241028-1034-B400_B.14-44	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-359 Group Greaney_M
43	10:42:08	20241028-1033-B400_B.14-43	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
42	10:29:25	20241028-0940-B400_B.14-42	14	H1_C13_HSQC_US_Night	n37729zl	-	+	-	-	-	+	+	Ref 241022-5a-2 Group Greaney_M
42	10:24:40	20241028-0940-B400_B.14-42	13	H1_Night	n37729zl	+	+	-	+	+	+	+	Ref 241022-5a-2 Group Greaney_M
10	10:20:35	20241028-1005-B400_B.14-10	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref phosphornate 2nd Group Schroder_M
8	10:16:11	20241028-1003-B400_B.14-8	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref phosphonate-1st Group Schroder_M
43	10:10:11	20241028-1006-B400_B.14-43	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-043 80C overnight Group Mehta_M
42	10:01:43	20241028-0940-B400_B.14-42	12	C13_DEPT135_Night	n37729zl	-	+	-	-	-	+	+	Ref 241022-5a-2 Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
42	09:44:38	20241028-0940-B400_B.14-42	11	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241022-5a-2 Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41	09:38:22	20241028-0924-B400_B.14-41	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK044 hyd and fd in D2O Group Gibson_M JK044 hyd and fd in D2O
41	09:32:48	20241028-0924-B400_B.14-41	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK044 hyd and fd in D2O Group Gibson_M JK044 hyd and fd in D2O
13	09:30:30	20241028-0912-B400_B.14-13	11	H1_Day	m14269jw	-	+	-	-	-	+	+	Ref IR-JW_CBrCl22-Ref Group Riddell_I
13	09:13:06	20241028-0912-B400_B.14-13	10	C13_CPD_Night256	m14269jw	+	+	-	+	+	+	+	Ref IR-JW_CBrCl22-Ref Group Riddell_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
58	08:25:38	20241028-0823-B400_B.14-58	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-056 Group Procter_D
57	08:21:34	20241028-0820-B400_B.14-57	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF17B Group Larrosa_I product?
56	20:55:31	20241027-2035-B400_B.14-56	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-48-P2 Group DeBo_G
55	20:51:15	20241027-2035-B400_B.14-55	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-48-P1 Group DeBo_G
54	20:47:00	20241027-2034-B400_B.14-54	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-43-P2 Group DeBo_G
53	20:42:51	20241027-2034-B400_B.14-53	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-43-P1 Group DeBo_G
52	20:38:40	20241027-2034-B400_B.14-52	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-49-P2 Group DeBo_G
51	20:34:27	20241027-2034-B400_B.14-51	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-49-P1 Group DeBo_G
7	20:27:58	20241027-2027-B400_B.14-7	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e488 p1p1 Group DeBo_G
6	18:33:09	20241027-1704-B400_B.14-6	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc so 001-1 c Group DeBo_G
5	18:27:39	20241027-1645-B400_B.14-5	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-043 60C overnight Group Mehta_M
4	18:23:26	20241027-1635-B400_B.14-4	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e490 p1 Group DeBo_G
3	18:14:59	20241027-1626-B400_B.14-3	10	H1_Quant_Night	b72547am	+	+	-	+	+	+	+	Ref 4-3 Group Larrosa_I
2	18:08:09	20241027-1625-B400_B.14-2	11	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R2 A1 after elec 40 min 80C Group Larrosa_I
2	17:20:37	20241027-1625-B400_B.14-2	10	F19_Quant_D35_Night	b72547am	+	+	-	+	-	+	+	Ref 4-2R2 A1 after elec 40 min 80C Group Larrosa_I
1	17:13:52	20241027-1625-B400_B.14-1	11	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R1 A1 after elec 40 min 80C Group Larrosa_I
1	16:27:23	20241027-1625-B400_B.14-1	10	F19_Quant_D35_Night	b72547am	+	+	-	+	-	+	+	Ref 4-2R1 A1 after elec 40 min 80C Group Larrosa_I
5	15:55:25	20241027-1527-B400_B.14-5	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-430-ac2 Group Procter_D
4	15:51:06	20241027-1527-B400_B.14-4	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-430-ac3 Group Procter_D
3	15:48:50	20241027-1516-B400_B.14-3	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-2 R3 A2 Group Larrosa_I
3	15:42:58	20241027-1516-B400_B.14-3	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	-	+	+	Ref 4-2 R3 A2 Group Larrosa_I
2	15:40:21	20241027-1516-B400_B.14-2	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-2 R2 A2 Group Larrosa_I
2	15:27:11	20241027-1516-B400_B.14-2	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	-	+	+	Ref 4-2 R2 A2 Group Larrosa_I
1	15:24:33	20241027-1516-B400_B.14-1	11	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-2 R1 A2 Group Larrosa_I
1	15:17:39	20241027-1516-B400_B.14-1	10	F19_Quant_D1_8s_Day	b72547am	+	+	-	+	-	+	+	Ref 4-2 R1 A2 Group Larrosa_I
18	14:47:09	20241027-1446-B400_B.14-18	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp=oc-430-ac1 Group Procter_D
15	14:29:47	20241027-1429-B400_B.14-15	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-754-c-1h-cdcl3 Group Crisenza_G
14	14:14:04	20241027-1354-B400_B.14-14	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-104 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	13:59:34	20241027-1354-B400_B.14-14	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-104 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	13:55:07	20241027-1354-B400_B.14-14	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-104 Group Procter_D
13	13:47:13	20241027-1346-B400_B.14-13	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e490c Group DeBo_G
12	13:35:58	20241027-1309-B400_B.14-12	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-055 Group Procter_D
11	13:31:22	20241027-1308-B400_B.14-11	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-A Group Procter_D
10	13:26:52	20241027-1305-B400_B.14-10	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc so 001-1 Group DeBo_G
9	13:22:11	20241027-1302-B400_B.14-9	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-358-(b) Group Greaney_M
8	13:17:30	20241027-1301-B400_B.14-8	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-358-(a) Group Greaney_M
7	13:13:06	20241027-1253-B400_B.14-7	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-C Group Procter_D
6	13:08:28	20241027-1253-B400_B.14-6	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-B Group Procter_D
5	13:03:22	20241027-1239-B400_B.14-5	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-053 Group Procter_D
4	12:54:44	20241027-1218-B400_B.14-4	10	H1_COSY_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-746-r2-p-nmr-cosy-cdcl3 Group Crisenza_G
3	12:45:08	20241027-1218-B400_B.14-3	10	H1_COSY_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-745-r1-p-nmr-cosy-cdcl3 Group Crisenza_G
2	12:36:30	20241027-1148-B400_B.14-2	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-108 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	12:22:02	20241027-1148-B400_B.14-2	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-108 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	12:18:05	20241027-1148-B400_B.14-2	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-108 Group Procter_D
1	12:09:37	20241027-1148-B400_B.14-1	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-107 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	11:54:51	20241027-1148-B400_B.14-1	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-107 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	11:51:00	20241027-1148-B400_B.14-1	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-107 Group Procter_D
7	19:53:50	20241026-1827-B400_B.14-7	12	H1_COSY_HiRes_Night	y83900an	-	+	-	-	-	+	+	Ref IL_AMN-03-77-80-01 (Col) Group Larrosa_I
7	19:51:19	20241026-1827-B400_B.14-7	11	F19_NoCPD_Day	y83900an	-	+	-	-	-	+	+	Ref IL_AMN-03-77-80-01 (Col) Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
7	19:46:37	20241026-1827-B400_B.14-7	10	H1_Day	y83900an	+	+	-	+	+	+	+	Ref IL_AMN-03-77-80-01 (Col) Group Larrosa_I
6	19:42:09	20241026-1546-B400_B.14-6	10	H1_Day	z88883sp	+	+	-	+	+	+	+	Ref SP283c Group Romanov_A SP283c AR BNN acetylene deprotected
5	19:37:23	20241026-1546-B400_B.14-5	10	H1_Day	z88883sp	+	+	-	+	+	+	+	Ref SP282a Group Romanov_A SP282a BNO acetylene deprotected
4	19:32:38	20241026-1456-B400_B.14-4	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16902 Group Crisenza_G
3	18:59:30	20241026-1434-B400_B.14-3	13	H1_WaterSupp_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R3A1 Group Larrosa_I	autophase: Command 'autophase' only possible with locked sample! Current LOCK Status is OFF, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/b72547am/nmr/20241026-1434-B400_B.14-3/13/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/b72547am/nmr/20241026-1434-B400_B.14-3/13/pdata/1/peaks!
3	18:47:39	20241026-1434-B400_B.14-3	12	H1_Night128	b72547am	-	+	-	-	-	+	+	Ref 4-2R3A1 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/b72547am/nmr/20241026-1434-B400_B.14-3/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/b72547am/nmr/20241026-1434-B400_B.14-3/12/pdata/1/peaks!
3	18:40:49	20241026-1434-B400_B.14-3	11	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R3A1 Group Larrosa_I
3	17:54:14	20241026-1434-B400_B.14-3	10	F19_Quant_D35_Night	b72547am	+	+	-	+	-	+	+	Ref 4-2R3A1 Group Larrosa_I
2	17:21:20	20241026-1434-B400_B.14-2	13	H1_WaterSupp_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R2A1 Group Larrosa_I	autophase: Command 'autophase' only possible with locked sample! Current LOCK Status is OFF, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/b72547am/nmr/20241026-1434-B400_B.14-2/13/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/b72547am/nmr/20241026-1434-B400_B.14-2/13/pdata/1/peaks!
2	17:09:29	20241026-1434-B400_B.14-2	12	H1_Night128	b72547am	-	+	-	-	-	+	+	Ref 4-2R2A1 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/b72547am/nmr/20241026-1434-B400_B.14-2/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/b72547am/nmr/20241026-1434-B400_B.14-2/12/pdata/1/peaks!
2	17:02:39	20241026-1434-B400_B.14-2	11	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R2A1 Group Larrosa_I
2	16:14:00	20241026-1434-B400_B.14-2	10	F19_Quant_D35_Night	b72547am	+	+	-	+	-	+	+	Ref 4-2R2A1 Group Larrosa_I
1	15:40:36	20241026-1434-B400_B.14-1	13	H1_WaterSupp_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R1A1 Group Larrosa_I	autophase: Command 'autophase' only possible with locked sample! Current LOCK Status is OFF, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/b72547am/nmr/20241026-1434-B400_B.14-1/13/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/b72547am/nmr/20241026-1434-B400_B.14-1/13/pdata/1/peaks!
1	15:28:45	20241026-1434-B400_B.14-1	12	H1_Night128	b72547am	-	+	-	-	-	+	+	Ref 4-2R1A1 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/b72547am/nmr/20241026-1434-B400_B.14-1/12/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/b72547am/nmr/20241026-1434-B400_B.14-1/12/pdata/1/peaks!
1	15:22:03	20241026-1434-B400_B.14-1	11	F19_NoCPD_Night	b72547am	-	+	-	-	-	+	+	Ref 4-2R1A1 Group Larrosa_I
1	14:36:16	20241026-1434-B400_B.14-1	10	F19_Quant_D35_Night	b72547am	+	+	-	+	-	+	+	Ref 4-2R1A1 Group Larrosa_I
24	13:43:51	20241026-1343-B400_B.14-24	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1635 Group Procter_D
22	13:18:19	20241026-1317-B400_B.14-22	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-isobutyraldehyde Group Larrosa_I
18	13:08:12	20241026-1245-B400_B.14-18	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref GB071 Group Procter_D
17	13:05:56	20241026-1244-B400_B.14-17	11	F19_CPD_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB070_F2_19F Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
17	13:01:11	20241026-1244-B400_B.14-17	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB070_F2 Group Procter_D
16	12:57:41	20241026-1244-B400_B.14-16	11	F19_CPD_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB070_F1_19F Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
16	12:53:26	20241026-1244-B400_B.14-16	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB070_F1 Group Procter_D
15	12:48:58	20241026-1218-B400_B.14-15	10	H1_Day	z88883sp	+	+	-	+	+	+	+	Ref SP286a Group Romanov_A SP286a DOBNA_carb after xray stability test
14	12:44:01	20241026-1217-B400_B.14-14	10	H1_Day	z88883sp	+	+	-	+	+	+	+	Ref SP279a Group Romanov_A SP279a BulkyNC_Au_Cl after xray stability test
8	12:39:37	20241026-1205-B400_B.14-8	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1636+spik Group Procter_D
13	12:34:38	20241026-1147-B400_B.14-13	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Urea salt no chirtal 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
13	12:30:24	20241026-1147-B400_B.14-13	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Urea salt no chirtal Group Larrosa_I
12	12:25:23	20241026-1147-B400_B.14-12	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squaramide salt no chirtal 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	12:20:51	20241026-1147-B400_B.14-12	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squaramide salt no chirtal Group Larrosa_I
10	12:16:41	20241026-1145-B400_B.14-10	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-ketopinic con algo Group Larrosa_I
11	12:12:09	20241026-1146-B400_B.14-11	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Phen Ag Carbene Group Larrosa_I
7	12:07:02	20241026-1145-B400_B.14-7	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref O tolyl meta sililation Group Larrosa_I
6	12:00:41	20241026-1145-B400_B.14-6	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1108 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	11:56:00	20241026-1145-B400_B.14-6	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1108 Group Larrosa_I
5	11:51:25	20241026-1145-B400_B.14-5	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1159 o 1168 Group Larrosa_I
2	11:47:28	20241026-1140-B400_B.14-2	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref phth deprot cr Group Larrosa_I
1	11:45:16	20241026-1139-B400_B.14-1	11	F19_NoCPD_Day	b72547am	-	+	-	-	-	+	+	Ref 3-224 cr Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
1	11:41:09	20241026-1139-B400_B.14-1	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 3-224 cr Group Larrosa_I
15	11:28:57	20241026-1104-B400_B.14-15	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1159 Group Larrosa_I
14	11:22:51	20241026-1103-B400_B.14-14	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1143 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
14	11:18:22	20241026-1103-B400_B.14-14	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1143 Group Larrosa_I
4	11:14:41	20241026-1101-B400_B.14-4	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1167.1 Group Larrosa_I
3	11:10:45	20241026-1101-B400_B.14-3	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1165 Group Larrosa_I
2	11:06:36	20241026-1101-B400_B.14-2	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1169 br octane Group Larrosa_I
1	11:02:10	20241026-1101-B400_B.14-1	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1168 Group Larrosa_I
27	10:43:20	20241026-1033-B400_B.14-27	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1636 Group Procter_D
26	10:38:55	20241026-1032-B400_B.14-26	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1635c Group Procter_D
25	10:34:18	20241026-1032-B400_B.14-25	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1634 Group Procter_D
24	10:28:14	20241026-0957-B400_B.14-24	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1171 br hept Group Larrosa_I
23	10:23:58	20241026-0957-B400_B.14-23	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1170 ester Group Larrosa_I
13	10:20:10	20241026-0956-B400_B.14-13	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref Photocalt Ir Group Larrosa_I
12	10:16:29	20241026-0956-B400_B.14-12	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1166 Group Larrosa_I
11	10:12:30	20241026-0956-B400_B.14-11	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1158 Group Larrosa_I
7	10:08:07	20241026-0954-B400_B.14-7	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1164 Group Larrosa_I
6	10:03:42	20241026-0954-B400_B.14-6	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1163 Group Larrosa_I
5	09:59:11	20241026-0954-B400_B.14-5	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1162 Group Larrosa_I
4	09:54:49	20241026-0954-B400_B.14-4	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1161 Group Larrosa_I
4	09:31:44	20241026-0930-B400_B.14-4	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-726-1-crude Group DeBo_G
18	22:36:39	20241025-2105-B400_B.14-18	12	C13_DEPT135_Night	w61916tz	-	+	-	-	-	+	+	Ref sy-tz-td-20241013A-13c-dept135 Group Schroder_M	sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Schroder_M/data/w61916tz/nmr/20241025-2105-B400_B.14-18/12/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Schroder_M/data/w61916tz/nmr/20241025-2105-B400_B.14-18/12/pdata/1/peaks No peak is found in the specified ranges!
18	22:22:09	20241025-2105-B400_B.14-18	11	C13_CPD_Night256	w61916tz	-	+	-	-	-	+	+	Ref sy-tz-td-20241013A-13c-cpd Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	22:17:20	20241025-2105-B400_B.14-18	10	H1_Night	w61916tz	+	+	-	+	+	+	+	Ref sy-tz-td-20241013A-1h Group Schroder_M
10	22:08:51	20241025-2056-B400_B.14-10	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-104 cr Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	21:54:24	20241025-2056-B400_B.14-10	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-104 cr Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	21:50:13	20241025-2056-B400_B.14-10	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-104 cr Group Procter_D
9	21:41:41	20241025-2056-B400_B.14-9	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-103 cr Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	21:27:11	20241025-2056-B400_B.14-9	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-103 cr Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	21:23:05	20241025-2056-B400_B.14-9	10	H1_Quant_NS1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-103 cr Group Procter_D
8	21:16:57	20241025-2035-B400_B.14-8	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-1.2-MFM Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	21:10:41	20241025-2035-B400_B.14-7	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-1.1-MFM Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6	21:04:20	20241025-2034-B400_B.14-6	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-1.0-MFM Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	20:58:12	20241025-2034-B400_B.14-5	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-0.8-MFM Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	20:51:51	20241025-2033-B400_B.14-4	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-H-1.2 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	20:45:28	20241025-2033-B400_B.14-3	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-H-1.1 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	20:39:21	20241025-2032-B400_B.14-2	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-H-1.0 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	20:32:33	20241025-2031-B400_B.14-1	10	H1_WaterSupp_Day	x26213ll	+	+	-	+	+	+	+	Ref 241025-H-0.8 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	19:14:57	20241025-1853-B400_B.14-52	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref MeThio-DJP-AG Group Procter_D
60	19:09:40	20241025-1840-B400_B.14-60	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB069_F4 Group Procter_D
48	18:52:24	20241025-1712-B400_B.14-48	11	C13_CPD_Night256	u36788yy	+	+	-	+	+	+	+	Ref 1.6N3Aib3OtBu Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59	18:48:08	20241025-1836-B400_B.14-59	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241025-2 Group Greaney_M
58	18:42:59	20241025-1835-B400_B.14-58	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241025-1 Group Greaney_M
57	18:38:26	20241025-1813-B400_B.14-57	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2-6-DJP-AG Group Procter_D
56	18:34:01	20241025-1813-B400_B.14-56	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2-5-DJP-AG Group Procter_D
55	18:29:35	20241025-1813-B400_B.14-55	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2-4-DJP-AG Group Procter_D
51	18:24:22	20241025-1811-B400_B.14-51	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.3-DJP-AG Group Procter_D
50	18:18:53	20241025-1811-B400_B.14-50	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2-2-DJP-AG Group Procter_D
49	18:13:36	20241025-1810-B400_B.14-49	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2-1-DJP-AG Group Procter_D
47	17:55:58	20241025-1708-B400_B.14-47	11	C13_CPD_Night256	u36788yy	+	+	-	+	+	+	+	Ref 1.1(2)N3AibOH Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	17:52:23	20241025-1738-B400_B.14-51	12	F19_NoCPD_Day	h18549ms	-	+	-	-	-	+	+	Ref JB_MS_01_020_P Group Bures_J	sref: NUCLEUS '19F' not 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	17:47:44	20241025-1738-B400_B.14-51	10	H1_Day	h18549ms	+	+	-	+	+	+	+	Ref JB_MS_01_020_P Group Bures_J
50	17:43:27	20241025-1717-B400_B.14-50	10	H1_Day	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-64-0 Group Procter_D
49	17:38:27	20241025-1717-B400_B.14-49	10	H1_Day	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-63-0 Group Procter_D
48	17:33:43	20241025-1712-B400_B.14-48	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.6N3Aib3OtBu Group Webb_S
47	17:28:45	20241025-1708-B400_B.14-47	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.1(2)N3AibOH Group Webb_S
46	17:24:10	20241025-1653-B400_B.14-46	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
45	17:19:43	20241025-1634-B400_B.14-45	10	H1_Day	z83527ql	+	+	-	+	+	+	+	Ref GC-MOTOR-017-Bn-2410 Group Leigh_D
44	17:17:25	20241025-1628-B400_B.14-44	11	H1_Day	j39602jx	-	+	-	-	-	+	+	Ref Matt-2 Group Other
44	17:13:17	20241025-1628-B400_B.14-44	10	H1_Day	j39602jx	+	+	-	+	+	+	+	Ref Matt-2 Group Other
43	17:10:59	20241025-1627-B400_B.14-43	11	H1_Day	j39602jx	-	+	-	-	-	+	+	Ref Matt-1 Group Other
43	17:05:25	20241025-1627-B400_B.14-43	10	H1_Wide_Day	j39602jx	+	+	-	+	+	+	+	Ref Matt-1 Group Other
42	16:59:50	20241025-1624-B400_B.14-42	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-041 40C overnight Group Mehta_M
41	16:53:49	20241025-1624-B400_B.14-41	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-040 with py Group Mehta_M
40	16:47:30	20241025-1622-B400_B.14-40	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK045-2 step 1 in chloro Group Gibson_M JK045-2 step 1 in chloro
40	16:43:03	20241025-1622-B400_B.14-40	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK045-2 step 1 in chloro Group Gibson_M JK045-2 step 1 in chloro
39	16:38:30	20241025-1622-B400_B.14-39	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241022-1a Group Greaney_M
38	16:33:53	20241025-1621-B400_B.14-38	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-750-ots-1h-cdcl3 Group Crisenza_G
37	16:29:28	20241025-1613-B400_B.14-37	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-291 colunm origem Group Procter_D
36	16:25:05	20241025-1557-B400_B.14-36	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 70vi Group Greaney_M
35	16:20:35	20241025-1557-B400_B.14-35	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 70v Group Greaney_M
34	16:16:05	20241025-1557-B400_B.14-34	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 70iv Group Greaney_M
33	16:11:35	20241025-1557-B400_B.14-33	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 70iii Group Greaney_M
32	16:07:20	20241025-1557-B400_B.14-32	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 70ii Group Greaney_M
31	16:01:55	20241025-1557-B400_B.14-31	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 70i Group Greaney_M
30	15:57:30	20241025-1546-B400_B.14-30	11	H1_WaterSupp_Day	y03366aa	-	+	-	-	-	+	+	Ref Al-Cu-Pyc-2nd Synthesis-water supp Group Other	pp: Cannot find any peak for scaling in /mnt/nmrdata/Other/data/y03366aa/nmr/20241025-1546-B400_B.14-30/99997/pdata/1/peaks!, sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	15:51:48	20241025-1546-B400_B.14-30	10	H1_Day	y03366aa	+	+	-	+	+	+	+	Ref Al-Cu-Pyc-2nd Synthesis Group Other
17	15:27:00	20241025-1311-B400_B.14-17	11	C13_CPD_Night256	q85514th	+	+	-	+	+	+	+	Ref TH4201SUE F15-23 Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	15:13:49	20241025-1114-B400_B.14-4	10	H1_Quant_Night	p15839kb	+	+	-	+	x	+	+	Ref KB-6-1378 Group Larrosa_I	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
7	15:09:11	20241025-1505-B400_B.14-7	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0026_ZnI2 Group DeBo_G
19	15:04:15	20241025-1256-B400_B.14-19	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref JMG010.G.C.CP Group Crisenza_G
3	14:51:08	20241025-1114-B400_B.14-3	10	H1_Quant_Night	p15839kb	+	+	-	+	x	+	+	Ref KB-6-1377 Group Larrosa_I	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
29	14:47:43	20241025-1431-B400_B.14-29	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	-	+	+	Ref AJD H65f (c) Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241025-1431-B400_B.14-29/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241025-1431-B400_B.14-29/10/pdata/1/peaks!
28	14:44:19	20241025-1431-B400_B.14-28	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	-	+	+	Ref AJD H65e (c) Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241025-1431-B400_B.14-28/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241025-1431-B400_B.14-28/10/pdata/1/peaks!
27	14:40:25	20241025-1430-B400_B.14-27	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	-	+	+	Ref AJD H65d (c) Group Larrosa_I	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241025-1430-B400_B.14-27/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/s52134ad/nmr/20241025-1430-B400_B.14-27/10/pdata/1/peaks!
26	14:35:48	20241025-1425-B400_B.14-26	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-356 Group Greaney_M
25	14:23:49	20241025-1417-B400_B.14-25	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1382-2 Group Larrosa_I
24	14:18:35	20241025-1409-B400_B.14-24	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP_GB069_F3 Group Procter_D
23	14:14:01	20241025-1409-B400_B.14-23	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP_GB069_F1 Group Procter_D
22	14:08:50	20241025-1322-B400_B.14-22	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg72 Group Webb_S
38	14:04:06	20241024-1747-B400_B.14-38	11	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref JMG009CP Group Crisenza_G
21	13:39:39	20241025-1256-B400_B.14-21	10	H1_Quant_NS1_Day	s52134ad	+	+	-	x	-	-	-	Ref AJD H65f (c) Group Larrosa_I	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
20	13:37:35	20241025-1256-B400_B.14-20	10	H1_Quant_NS1_Day	s52134ad	+	+	-	x	-	-	-	Ref AJD H65e (c) Group Larrosa_I	Lock failed after multiple attempts, lock: No status change after 'LOCK on'. -> aborted!, No status change after 'LOCK on'. -> aborted!
19	13:35:25	20241025-1256-B400_B.14-19	10	H1_Quant_NS1_Day	s52134ad	-	-	-	-	-	-	-	Ref AJD H65d (c) Group Larrosa_I
18	13:30:55	20241025-1320-B400_B.14-18	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB180 Group Crisenza_G
17	13:26:32	20241025-1311-B400_B.14-17	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH4201SUE F15-23 Group Greaney_M
16	13:22:06	20241025-1311-B400_B.14-16	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH004PCH F34-67 Group Greaney_M
15	13:17:23	20241025-1254-B400_B.14-15	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H65c (c) Group Larrosa_I
13	13:13:01	20241025-1254-B400_B.14-13	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H65b (c) Group Larrosa_I
12	13:08:11	20241025-1254-B400_B.14-12	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H65a (c) Group Larrosa_I
11	13:05:25	20241025-1244-B400_B.14-11	12	F19_CPD_Day	b72547am	-	+	-	-	-	+	+	Ref 4-1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11	12:58:49	20241025-1244-B400_B.14-11	11	F19_Quant_D1_8s_Day	b72547am	-	+	-	-	-	+	+	Ref 4-1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11	12:54:24	20241025-1244-B400_B.14-11	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 4-1 Group Larrosa_I
10	12:49:55	20241025-1218-B400_B.14-10	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-309-95min Group James_M
6	12:45:45	20241025-1120-B400_B.14-6	10	H1_Day	h18549ms	+	+	-	+	+	+	+	Ref JB_MS_01_022_6_R Group Bures_J
5	12:41:27	20241025-1119-B400_B.14-5	10	H1_Day	h18549ms	+	+	-	+	+	+	+	Ref JB_MS_01_022_1_R2 Group Bures_J
2	12:29:32	20241025-1114-B400_B.14-2	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1376 Group Larrosa_I
1	12:16:29	20241025-1114-B400_B.14-1	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1375 Group Larrosa_I
59	12:16:21	20241025-1019-B400_B.14-59	10	H1_Day	j40457bh	x	-	-	-	-	-	-	Ref bh3-1-9f Group Trowbridge_A	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.59'.
58	12:16:03	20241025-1019-B400_B.14-58	10	H1_Day	j40457bh	x	-	-	-	-	-	-	Ref bh3-1-9e Group Trowbridge_A	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.58'.
1	11:21:54	20241025-1114-B400_B.14-1	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	x	-	-	-	Ref KB-6-1375 Group Larrosa_I	Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is PENDING, Command 'lock CDCl3' failed. Lock is PENDING
59	11:19:04	20241025-1019-B400_B.14-59	10	H1_Day	j40457bh	+	+	-	x	-	-	-	Ref bh3-1-9f Group Trowbridge_A	Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is PENDING, Command 'lock CDCl3' failed. Lock is PENDING
58	11:16:28	20241025-1019-B400_B.14-58	10	H1_Day	j40457bh	-	-	-	-	-	-	-	Ref bh3-1-9e Group Trowbridge_A
57	11:10:16	20241025-1019-B400_B.14-57	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-9d Group Trowbridge_A
13	11:06:02	20241025-1059-B400_B.14-13	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-29-p1 Group Trowbridge_A
12	11:01:45	20241025-1050-B400_B.14-12	10	H1_Day	p93668sz	+	+	-	+	+	+	+	Ref THF Group Liddle_S
11	10:56:47	20241025-1042-B400_B.14-11	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-28-r1 Group Trowbridge_A
10	10:51:32	20241025-1041-B400_B.14-10	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-27-r1 Group Trowbridge_A
9	10:46:57	20241025-1041-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-29-p1 Group Trowbridge_A
8	10:42:03	20241025-1031-B400_B.14-8	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-355-(c) Group Greaney_M
7	10:37:49	20241025-1031-B400_B.14-7	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-355-(b) Group Greaney_M
6	10:33:08	20241025-1031-B400_B.14-6	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-355-(a) Group Greaney_M
5	10:28:26	20241025-1018-B400_B.14-5	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-9c Group Trowbridge_A
4	10:23:27	20241025-1018-B400_B.14-4	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-9b Group Trowbridge_A
3	10:18:58	20241025-1017-B400_B.14-3	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-9a Group Trowbridge_A
55	09:56:59	20241025-0951-B400_B.14-55	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-309-15min Group James_M
54	09:52:20	20241025-0951-B400_B.14-54	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-308-80deg 16h Group James_M
12	09:31:05	20241025-0911-B400_B.14-12	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-055 Group Procter_D
11	09:26:15	20241025-0919-B400_B.14-11	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-291 crude com padrao Group Procter_D
10	09:21:44	20241025-0910-B400_B.14-10	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-C Group Procter_D
9	09:17:33	20241025-0910-B400_B.14-9	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-B Group Procter_D
8	09:12:53	20241025-0910-B400_B.14-8	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-054-A Group Procter_D
1	08:13:35	20241025-0812-B400_B.14-1	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-291 pos vacum Group Procter_D
36	07:08:25	20241024-1924-B400_B.14-36	12	P31_Wide_Day	k64888zx	-	+	-	-	-	+	+	Ref zx357-a 2days Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241024-1924-B400_B.14-36/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Shaver_M/data/k64888zx/nmr/20241024-1924-B400_B.14-36/12/pdata/1/peaks!
36	06:42:33	20241024-1924-B400_B.14-36	11	P31_Wide_Night	k64888zx	-	+	-	-	-	+	+	Ref zx357-a 2days Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
36	06:37:45	20241024-1924-B400_B.14-36	10	H1_Night	k64888zx	+	+	-	+	+	+	+	Ref zx357-a 2days Group Shaver_M
35	06:35:26	20241024-1923-B400_B.14-35	11	H1_Night	k64888zx	-	+	-	-	-	+	+	Ref zx354 c-polystpph2cl2 Group Shaver_M
35	06:06:42	20241024-1923-B400_B.14-35	10	P31_Wide_Night	k64888zx	+	+	-	+	+	+	+	Ref zx354 c-polystpph2cl2 Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0
25	06:02:12	20241024-1916-B400_B.14-25	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-290 rep puro ? Group Procter_D
24	05:56:07	20241024-1900-B400_B.14-24	11	H1_Quant_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB069_quant Group Procter_D
24	05:51:29	20241024-1900-B400_B.14-24	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB069 Group Procter_D
23	05:45:23	20241024-1900-B400_B.14-23	11	H1_Quant_Night	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB068_quant Group Procter_D
23	05:40:35	20241024-1900-B400_B.14-23	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB068 Group Procter_D
40	05:36:07	20241024-1748-B400_B.14-40	10	H1_Night	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-067iso Group Trowbridge_A
39	05:31:13	20241024-1748-B400_B.14-39	10	H1_Night	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-066iso Group Trowbridge_A
34	05:04:21	20241024-1720-B400_B.14-34	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 26 4 HR 60 C Group Kinloch_I	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	04:49:36	20241024-1720-B400_B.14-34	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 26 4 HR 60 C Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
34	04:43:57	20241024-1720-B400_B.14-34	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 26 4 HR 60 C Group Kinloch_I
33	04:17:27	20241024-1720-B400_B.14-33	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 21 8 HR 60 C Group Kinloch_I	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
33	04:02:39	20241024-1720-B400_B.14-33	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 21 8 HR 60 C Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
33	03:57:52	20241024-1720-B400_B.14-33	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 21 8 HR 60 C Group Kinloch_I
32	03:31:27	20241024-1720-B400_B.14-32	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 21 4 HR 60 C Group Kinloch_I	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
32	03:16:36	20241024-1720-B400_B.14-32	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 21 4 HR 60 C Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
32	03:11:47	20241024-1720-B400_B.14-32	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 21 4 HR 60 C Group Kinloch_I
31	02:45:23	20241024-1720-B400_B.14-31	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 20 4 HR 60 C Group Kinloch_I	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
31	02:30:35	20241024-1720-B400_B.14-31	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 20 4 HR 60 C Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
31	02:26:09	20241024-1720-B400_B.14-31	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 20 4 HR 60 C Group Kinloch_I
30	01:59:44	20241024-1720-B400_B.14-30	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 24 Group Kinloch_I	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
30	01:44:45	20241024-1720-B400_B.14-30	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 24 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	01:40:16	20241024-1720-B400_B.14-30	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 24 Group Kinloch_I
29	01:13:10	20241024-1720-B400_B.14-29	12	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 23 Group Kinloch_I	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	00:58:25	20241024-1720-B400_B.14-29	11	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 23 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	00:53:19	20241024-1720-B400_B.14-29	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 23 Group Kinloch_I
19	00:36:38	20241024-1703-B400_B.14-19	11	C13_CPD_Night256	j03696rc	+	+	-	+	+	+	+	Ref RC124.2 13C Group Shaver_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	00:20:02	20241024-1703-B400_B.14-18	11	C13_CPD_Night256	j03696rc	+	+	-	+	+	+	+	Ref RC124.1 13C Group Shaver_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
21	00:03:01	20241024-1649-B400_B.14-21	11	C13_CPD_Night256	v43419jm	+	+	-	+	+	+	+	Ref GC.JMG009F21-41 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
6	23:58:21	20241024-1638-B400_B.14-6	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 017 Group Webb_S Different solvent.
5	23:53:41	20241024-1637-B400_B.14-5	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 016 (crude w/ mesitylene) Group Webb_S
4	23:48:57	20241024-1636-B400_B.14-4	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 014 (crude w/ mesitylene) Group Webb_S
12	23:37:09	20241024-0908-B400_B.14-12	14	H1_COSY_HiRes_Night	n37729zl	-	+	-	-	-	+	+	Ref 241022-8b Group Greaney_M
12	23:28:41	20241024-0908-B400_B.14-12	13	C13_DEPT135_Night	n37729zl	-	+	-	-	-	+	+	Ref 241022-8b Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	23:11:53	20241024-0908-B400_B.14-12	12	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241022-8b Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
45	22:48:08	20241024-1437-B400_B.14-45	16	H1_C13_HSQCed_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1374-A Group Larrosa_I	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
45	22:29:42	20241024-1437-B400_B.14-45	15	H1_C13_HMBC_US_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1374-A Group Larrosa_I
45	22:27:31	20241024-1437-B400_B.14-45	14	H1_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1374-A Group Larrosa_I
45	22:15:38	20241024-1437-B400_B.14-45	13	H1_COSY_HiRes_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1374-A Group Larrosa_I
45	21:58:44	20241024-1437-B400_B.14-45	12	C13_CPD_Night256	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1374-A Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
44	21:42:26	20241024-1332-B400_B.14-44	12	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref MG-SG-PA2 Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43	21:25:25	20241024-1331-B400_B.14-43	12	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref MG-SG-PA1 Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	20:58:52	20241024-0901-B400_B.14-7	13	P31_CPD_Night	m56540yz	-	+	-	-	-	+	+	Ref phosphornate acid Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
7	20:42:08	20241024-0901-B400_B.14-7	12	C13_CPD_Night256	m56540yz	+	+	-	+	+	+	+	Ref phosphornate acid Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	20:15:33	20241024-1237-B400_B.14-1	11	P31_Wide_Night	k64888zx	-	+	-	-	-	+	+	Ref zx351 24h Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	20:10:42	20241024-1237-B400_B.14-1	10	H1_Night	k64888zx	+	+	-	+	x	+	+	Ref zx351 24h Group Shaver_M	topshim: TopshimPerformShimming - too many points lost during fit, Shim failed
41	19:52:54	20241024-1115-B400_B.14-41	10	C13_CPD_Night256	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB064_B_F2_13C_long Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	19:35:57	20241024-1042-B400_B.14-28	12	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref MG-SG-PB2 Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27	19:18:18	20241024-1040-B400_B.14-27	12	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref MG-Sg_pb1 Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22	18:50:04	20241024-0925-B400_B.14-22	12	P31_CPD_Night	m56540yz	+	+	-	+	+	+	+	Ref phosphornate ligand Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'DMSO' SR is set to 0.0
3	18:45:52	20241024-1633-B400_B.14-3	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 012 (crude w/ mesitylene) Group Webb_S
2	18:41:33	20241024-1632-B400_B.14-2	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 010 (crude w/ mesitylene) Group Webb_S
48	18:36:04	20241024-1805-B400_B.14-48	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_6 Group Bures_J
47	18:31:32	20241024-1800-B400_B.14-47	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241024-1 Group Greaney_M
46	18:26:40	20241024-1756-B400_B.14-46	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-8c Group Greaney_M
42	18:21:52	20241024-1755-B400_B.14-42	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-7c Group Greaney_M
38	18:17:17	20241024-1747-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-5h Group James_M
37	18:12:36	20241024-1747-B400_B.14-37	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-5h Group James_M
36	18:07:39	20241024-1739-B400_B.14-36	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-1,5-dibromopentane Group Procter_D
35	18:02:21	20241024-1739-B400_B.14-35	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-290 rep 4 h Group Procter_D
26	17:59:34	20241024-1716-B400_B.14-26	10	F19_Quant_D1_8s_Day	h18549ms	-	-	-	-	-	-	-	Ref JB_MS_01_019_6 Group Bures_J
25	17:55:38	20241024-1708-B400_B.14-25	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1d Group Procter_D
24	17:51:24	20241024-1708-B400_B.14-24	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1c Group Procter_D
23	17:47:27	20241024-1708-B400_B.14-23	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1b Group Procter_D
21	17:42:58	20241024-1649-B400_B.14-21	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref GC.JMG009F21-41 Group Crisenza_G
20	17:37:37	20241024-1707-B400_B.14-20	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-120-1a Group Procter_D
19	17:31:18	20241024-1703-B400_B.14-19	12	H1_COSY_Day	j03696rc	-	+	-	-	-	+	+	Ref RC124.2 COSY Group Shaver_M
19	17:27:12	20241024-1703-B400_B.14-19	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC124.2 Group Shaver_M
18	17:20:56	20241024-1703-B400_B.14-18	12	H1_COSY_Day	j03696rc	-	+	-	-	-	+	+	Ref RC124.1 COSY Group Shaver_M
18	17:16:41	20241024-1703-B400_B.14-18	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC124.1 Group Shaver_M
17	17:12:11	20241024-1643-B400_B.14-17	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM525.6.2 Group Willcox_D
16	17:07:12	20241024-1643-B400_B.14-16	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM525.6.1 Group Willcox_D
15	17:02:37	20241024-1640-B400_B.14-15	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-240min Group James_M
14	16:57:47	20241024-1640-B400_B.14-14	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-240min Group James_M
13	16:53:17	20241024-0908-B400_B.14-13	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241022-4a Group Greaney_M
12	16:49:01	20241024-0908-B400_B.14-12	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241022-8b Group Greaney_M
11	16:44:03	20241024-1625-B400_B.14-11	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-110 FT Group James_M
10	16:39:05	20241024-1538-B400_B.14-10	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-180 Group James_M
9	16:34:20	20241024-1538-B400_B.14-9	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-180 Group James_M
8	16:32:28	20241024-1610-B400_B.14-8	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ255_PC Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
8	16:27:30	20241024-1610-B400_B.14-8	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ255_PC Group Procter_D
7	16:23:15	20241024-0901-B400_B.14-7	11	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref phosphornate acid Group Schroder_M
6	16:18:58	20241024-1557-B400_B.14-6	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB179C Group Crisenza_G
5	16:14:13	20241024-1556-B400_B.14-5	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB179B Group Crisenza_G
4	16:09:40	20241024-1434-B400_B.14-4	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-120min Group James_M
3	16:05:12	20241024-1434-B400_B.14-3	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-90min Group James_M
2	16:00:20	20241024-1434-B400_B.14-2	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-60min Group James_M
58	15:54:51	20241024-1249-B400_B.14-58	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-041 overnight Group Mehta_M
57	15:49:19	20241024-1249-B400_B.14-57	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-040 overnight Group Mehta_M
55	15:44:47	20241024-1432-B400_B.14-55	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-120min Group James_M
54	15:40:20	20241024-1432-B400_B.14-54	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-90min Group James_M
53	15:35:19	20241024-1432-B400_B.14-53	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-60min Group James_M
52	15:28:08	20241024-1520-B400_B.14-52	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ256_C_spike Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
51	15:20:51	20241024-1520-B400_B.14-51	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ250_C_spike Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
50	15:18:42	20241024-1454-B400_B.14-50	12	F19_CPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 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
50	15:16:51	20241024-1454-B400_B.14-50	11	F19_NoCPD_Day	n38871ln	-	+	-	-	-	+	+	Ref ln41-1 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
50	15:12:31	20241024-1454-B400_B.14-50	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln41-1 Group Larrosa_I
49	15:07:18	20241024-1318-B400_B.14-49	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref jmg009 Group Crisenza_G
48	15:02:27	20241024-1312-B400_B.14-48	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-30min Group James_M
47	14:57:42	20241024-1312-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-20min Group James_M
46	14:52:49	20241024-1312-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-307-10min Group James_M
45	14:43:32	20241024-1437-B400_B.14-45	11	F19_CPD_Day	p15839kb	-	+	-	-	-	+	+	Ref KB-6-1374-A Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
45	14:38:30	20241024-1437-B400_B.14-45	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1374-A Group Larrosa_I
44	14:36:19	20241024-1332-B400_B.14-44	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref MG-SG-PA2 Group Gibson_M	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
44	14:32:17	20241024-1332-B400_B.14-44	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG-PA2 Group Gibson_M
43	14:29:14	20241024-1331-B400_B.14-43	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref MG-SG-PA1 Group Gibson_M	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
43	14:24:37	20241024-1331-B400_B.14-43	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG-PA1 Group Gibson_M
42	14:19:55	20241024-1307-B400_B.14-42	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64f (c) Group Larrosa_I
40	14:15:33	20241024-1307-B400_B.14-40	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64e (c) Group Larrosa_I
39	14:11:11	20241024-1307-B400_B.14-39	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64d (c) Group Larrosa_I
38	14:06:26	20241024-1311-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-30min Group James_M
37	14:01:40	20241024-1311-B400_B.14-37	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-20min Group James_M
36	13:57:06	20241024-1311-B400_B.14-36	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-306-10min Group James_M
35	13:52:41	20241023-1756-B400_B.14-35	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241022-8a Group Greaney_M
34	13:48:20	20241024-1306-B400_B.14-34	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64c (c) Group Larrosa_I
33	13:43:58	20241024-1306-B400_B.14-33	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64b (c) Group Larrosa_I
32	13:39:25	20241024-1306-B400_B.14-32	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H64a (c) Group Larrosa_I
31	13:34:56	20241024-1048-B400_B.14-31	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241019-4a Group Greaney_M
30	13:30:22	20241023-2224-B400_B.14-30	16	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-6c Group Greaney_M
29	13:25:46	20241024-1009-B400_B.14-29	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-5c Group Greaney_M
26	13:21:23	20241024-1303-B400_B.14-26	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-051 Group Procter_D
25	13:17:07	20241024-1008-B400_B.14-25	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-4c Group Greaney_M
24	13:12:31	20241024-1008-B400_B.14-24	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-3c Group Greaney_M
23	13:08:11	20241024-1008-B400_B.14-23	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241023-2c Group Greaney_M
22	12:51:28	20241024-0925-B400_B.14-22	11	C13_CPD_Night256	m56540yz	+	+	-	+	+	+	+	Ref phosphornate ligand Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15	12:45:29	20241024-1241-B400_B.14-15	10	H1_Day	f85241bm	+	+	-	+	+	+	+	Ref BM676 Group Bures_J
14	12:40:59	20241024-1045-B400_B.14-14	10	H1_Day	c39014ab	+	+	-	+	+	+	+	Ref JAS_FM_24_AVAC Group Leigh_D
60	12:36:23	20241024-1228-B400_B.14-60	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH2801SUE-C Group Greaney_M
59	12:31:19	20241024-1227-B400_B.14-59	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH004PCH-C Group Greaney_M
56	12:25:41	20241024-1205-B400_B.14-56	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH-Pd(dppb) Group Other	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
55	12:20:50	20241024-1202-B400_B.14-55	10	H1_Day	b14087dl	+	+	-	+	+	+	+	Ref AT-DL-07 Group Trowbridge_A
54	12:15:20	20241024-1201-B400_B.14-54	10	H1_Day	b14087dl	+	+	-	+	+	+	+	Ref AT-DL-06 Group Trowbridge_A
53	12:09:57	20241024-1155-B400_B.14-53	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-26e Group Trowbridge_A
52	12:03:52	20241024-1155-B400_B.14-52	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-26c Group Trowbridge_A
51	11:57:56	20241024-1155-B400_B.14-51	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-26a Group Trowbridge_A
50	11:55:23	20241024-1120-B400_B.14-50	10	H1_Day	q85514th	+	+	-	x	-	-	-	Ref TH2801SUE-C Group Greaney_M	Lock failed after multiple attempts, lock: Command 'lock CDCl3' failed. Lock is PENDING, Command 'lock CDCl3' failed. Lock is PENDING
49	11:52:45	20241024-1120-B400_B.14-49	10	H1_Day	q85514th	-	-	-	-	-	-	-	Ref TH004PCH-C Group Greaney_M
48	11:48:06	20241024-1136-B400_B.14-48	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-AWWA-Desalted Group Riddell_I
47	11:43:31	20241024-1135-B400_B.14-47	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2069 Group Riddell_I
46	11:38:47	20241024-1133-B400_B.14-46	10	H1_Day	j83970qc	+	+	-	+	+	+	+	Ref qc e486 p1p1 Group DeBo_G
45	11:34:11	20241024-1125-B400_B.14-45	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1468 Column Top Band - Basic CDCl3 Group DeBo_G
44	11:29:11	20241024-1118-B400_B.14-44	10	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-168 Group Shaver_M
43	11:25:13	20241024-1118-B400_B.14-43	10	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-169-1h Group Shaver_M
42	11:20:30	20241024-1118-B400_B.14-42	10	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-169-0.5h Group Shaver_M
40	11:16:15	20241024-1114-B400_B.14-40	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB054_F1 Group Procter_D
39	11:11:58	20241024-1032-B400_B.14-39	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0025_24H Group DeBo_G
38	11:07:17	20241024-1031-B400_B.14-38	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0023_80C_48H Group DeBo_G
31	11:02:45	20241024-1048-B400_B.14-31	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH-dppe Group Other	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
29	10:57:44	20241024-1009-B400_B.14-29	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-072C Group Trowbridge_A
28	10:55:27	20241024-1042-B400_B.14-28	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref MG-SG-PB2 Group Gibson_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
28	10:50:51	20241024-1042-B400_B.14-28	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG-PB2 Group Gibson_M
27	10:48:34	20241024-1040-B400_B.14-27	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref MG-Sg_pb1 Group Gibson_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27	10:43:27	20241024-1040-B400_B.14-27	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-Sg_pb1 Group Gibson_M
25	10:38:46	20241024-1008-B400_B.14-25	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-072B Group Trowbridge_A
24	10:34:08	20241024-1008-B400_B.14-24	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-072A Group Trowbridge_A
23	10:29:44	20241024-1008-B400_B.14-23	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-071B Group Trowbridge_A
22	10:25:15	20241024-0925-B400_B.14-22	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref phosphornate ligand Group Schroder_M
18	10:20:28	20241024-1007-B400_B.14-18	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-071A Group Trowbridge_A
17	10:15:58	20241024-1007-B400_B.14-17	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-070B Group Trowbridge_A
16	10:11:42	20241024-1007-B400_B.14-16	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-070A Group Trowbridge_A
15	10:04:02	20241024-0932-B400_B.14-15	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ260_B Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
14	09:56:56	20241024-0932-B400_B.14-14	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ260_A Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
13	09:52:32	20241024-0908-B400_B.14-13	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065H Group Riddell_I
12	09:48:05	20241024-0908-B400_B.14-12	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065G Group Riddell_I
11	09:46:06	20241024-0932-B400_B.14-11	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ255_2 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
11	09:41:47	20241024-0932-B400_B.14-11	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ255_2 Group Procter_D
10	09:37:24	20241024-0907-B400_B.14-10	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065F Group Riddell_I
9	09:32:17	20241024-0906-B400_B.14-9	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJ-01-065E Group Riddell_I
8	09:27:37	20241024-0900-B400_B.14-8	10	P31_NoCPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref mjh-Pd-(dppb) Group Other	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Other/data/mbdssmh7/nmr/20241024-0900-B400_B.14-8/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Other/data/mbdssmh7/nmr/20241024-0900-B400_B.14-8/10/pdata/1/peaks!
7	09:23:16	20241024-0901-B400_B.14-7	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH-Pd(dppe) Group Other	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	09:18:54	20241024-0900-B400_B.14-6	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH-dppm Group Other	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
5	09:14:26	20241024-0858-B400_B.14-5	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref mjh-Pd(dppp) Group Other	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4	09:09:58	20241024-0857-B400_B.14-4	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref mjh-dppb Group Other	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
3	09:05:02	20241024-0857-B400_B.14-3	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref MJH-dppp Group Other	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	09:00:25	20241024-0855-B400_B.14-2	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref mjh Pd(dppm) Group Other	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
1	08:55:38	20241024-0854-B400_B.14-1	10	P31_CPD_Day	mbdssmh7	+	+	-	+	+	+	+	Ref mjh_dppe Group Other	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Other/data/mbdssmh7/nmr/20241024-0854-B400_B.14-1/10/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Other/data/mbdssmh7/nmr/20241024-0854-B400_B.14-1/10/pdata/1/peaks!
45	08:23:56	20241024-0823-B400_B.14-45	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-119-0 Group Procter_D Base washed dioxalane
30	00:19:17	20241023-2224-B400_B.14-30	15	H1_C13_HSQCed_Night	m30316hz	-	+	-	-	-	+	+	Ref HZ-265b F1 Group Webb_S	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
30	00:00:53	20241023-2224-B400_B.14-30	14	H1_C13_HMBC_US_Night	m30316hz	-	+	-	-	-	+	+	Ref HZ-265b F1 Group Webb_S
30	23:58:41	20241023-2224-B400_B.14-30	13	H1_Night	m30316hz	-	+	-	-	-	+	+	Ref HZ-265b F1 Group Webb_S
30	23:44:05	20241023-2224-B400_B.14-30	12	C13_CPD_Night256	m30316hz	-	+	-	-	-	+	+	Ref HZ-265b F1 Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	23:37:46	20241023-2224-B400_B.14-30	11	H1_COSY_Day	m30316hz	-	+	-	-	-	+	+	Ref HZ-265b F1 Group Webb_S
30	23:32:59	20241023-2224-B400_B.14-30	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-265b F1 Group Webb_S
29	23:18:06	20241023-1707-B400_B.14-29	12	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 22 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
29	22:51:26	20241023-1707-B400_B.14-29	11	P31_CPD_Night	m02382ac	-	+	-	-	-	+	+	Ref IL 22 Group Kinloch_I	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	22:46:33	20241023-1707-B400_B.14-29	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 22 Group Kinloch_I
28	22:31:45	20241023-1707-B400_B.14-28	12	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 21 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	22:02:35	20241023-1707-B400_B.14-28	11	P31_CPD_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 21 Group Kinloch_I	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
27	21:47:48	20241023-1707-B400_B.14-27	12	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 20 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
27	21:19:11	20241023-1707-B400_B.14-27	11	P31_CPD_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 20 Group Kinloch_I	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	21:04:24	20241023-1707-B400_B.14-26	12	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 19 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	20:36:11	20241023-1707-B400_B.14-26	11	P31_CPD_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 19 Group Kinloch_I	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	20:21:19	20241023-1707-B400_B.14-25	12	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 17 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	19:51:41	20241023-1707-B400_B.14-25	11	P31_CPD_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 17 Group Kinloch_I	lock: Command 'lock DMSO' failed. Lock is OFF, 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
24	19:36:32	20241023-1707-B400_B.14-24	12	C13_CPD_Night256	m02382ac	-	+	-	-	-	+	+	Ref IL 16 Group Kinloch_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24	19:07:41	20241023-1707-B400_B.14-24	11	P31_CPD_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 16 Group Kinloch_I	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
32	18:50:51	20241023-1109-B400_B.14-32	11	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0021B-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
28	18:46:02	20241023-1707-B400_B.14-28	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 21 Group Kinloch_I
27	18:41:11	20241023-1707-B400_B.14-27	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 20 Group Kinloch_I
26	18:36:17	20241023-1707-B400_B.14-26	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 19 Group Kinloch_I
25	18:30:49	20241023-1707-B400_B.14-25	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 17 Group Kinloch_I
46	18:14:01	20241023-1319-B400_B.14-46	11	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref SG01R Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	18:09:45	20241023-1756-B400_B.14-36	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-tetrahydrothiopyran Group Procter_D
35	18:05:32	20241023-1756-B400_B.14-35	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-290 crude 3 h Group Procter_D
34	18:03:24	20241023-1739-B400_B.14-34	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 520 cr Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
34	17:58:56	20241023-1739-B400_B.14-34	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 520 cr Group Larrosa_I
33	17:56:23	20241023-1739-B400_B.14-33	11	P31_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 519 cr Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
33	17:51:38	20241023-1739-B400_B.14-33	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 519 cr Group Larrosa_I
31	17:45:16	20241023-1738-B400_B.14-31	11	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 518 cr Group Larrosa_I
31	17:40:34	20241023-1738-B400_B.14-31	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 518 cr Group Larrosa_I
30	17:34:19	20241023-1717-B400_B.14-30	11	H1_COSY_Day	n38871ln	-	+	-	-	-	+	+	Ref ln41-2 crm Group Larrosa_I
30	17:22:27	20241023-1717-B400_B.14-30	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln41-2 crm Group Larrosa_I
24	17:17:09	20241023-1707-B400_B.14-24	10	H1_Night	m02382ac	+	+	-	+	+	+	+	Ref IL 16 Group Kinloch_I
23	17:12:36	20241023-1635-B400_B.14-23	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H6t40 Group Gibson_M
21	17:08:09	20241023-1640-B400_B.14-21	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H63d (f) Group Larrosa_I
20	17:03:37	20241023-1628-B400_B.14-20	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241024-2 Group Greaney_M
19	16:58:44	20241023-1628-B400_B.14-19	10	H1_Day	p16600hw	+	+	-	+	+	+	+	Ref mfg-whw20241024-1 Group Greaney_M
18	16:53:14	20241023-1620-B400_B.14-18	10	H1_Wide_Day	q50682hk	+	+	-	+	+	+	+	Ref hk-12rer Group Willcox_D
17	16:48:17	20241023-1608-B400_B.14-17	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM525.6 Group Willcox_D
16	16:43:38	20241023-1538-B400_B.14-16	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-82-CRM Group Larrosa_I
15	16:38:06	20241023-1537-B400_B.14-15	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-81-CRM Group Larrosa_I
14	16:33:09	20241023-1607-B400_B.14-14	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM525.8 Group Willcox_D
13	16:28:37	20241023-1540-B400_B.14-13	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF16AWT Group Larrosa_I AF16- after work up (test)
12	16:23:16	20241023-1535-B400_B.14-12	10	H1_Quant_NS1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-76-CRM Group Larrosa_I
11	16:18:29	20241023-1534-B400_B.14-11	10	H1_Day	y83900an	+	+	-	+	+	+	+	Ref IL-AMN-03-71-01 Group Larrosa_I
10	16:13:55	20241023-1523-B400_B.14-10	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-24c Group Trowbridge_A
9	16:09:03	20241023-1523-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-24b Group Trowbridge_A
8	16:04:36	20241023-1435-B400_B.14-8	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-30 Group James_M
7	15:59:52	20241023-1435-B400_B.14-7	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-20 Group James_M
6	15:55:05	20241023-1435-B400_B.14-6	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-12 Group James_M
5	15:49:12	20241023-1524-B400_B.14-5	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-24a Group Trowbridge_A
4	15:44:51	20241023-1513-B400_B.14-4	10	H1_Day	h18549ms	+	+	-	+	+	+	+	Ref JB_MS_01_022_T1_S Group Bures_J
3	15:40:07	20241023-1506-B400_B.14-3	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref BH3-1-4 Group Trowbridge
2	15:35:20	20241023-1219-B400_B.14-2	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0024 Group DeBo_G
1	15:30:06	20241023-1218-B400_B.14-1	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0022-80c Group DeBo_G
60	15:25:15	20241023-1434-B400_B.14-60	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-8 Group James_M
59	15:20:25	20241023-1434-B400_B.14-59	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-6 Group James_M
58	15:13:33	20241023-1446-B400_B.14-58	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ257_A2 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
57	15:09:27	20241023-1446-B400_B.14-57	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ258 Group Procter_D
56	15:01:49	20241023-1444-B400_B.14-56	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control-17 Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
55	14:56:43	20241023-1434-B400_B.14-55	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-4 Group James_M
54	14:51:58	20241023-1434-B400_B.14-54	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-2 Group James_M
53	14:47:22	20241023-1434-B400_B.14-53	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-305-1 Group James_M
52	14:42:53	20241023-1356-B400_B.14-52	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 66ii Group Greaney_M
51	14:38:13	20241023-1356-B400_B.14-51	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 66i Group Greaney_M
50	14:33:12	20241023-1354-B400_B.14-50	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref mfg-ad-207 Group Greaney_M
49	14:27:02	20241023-1318-B400_B.14-49	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H63d (c) Group Larrosa_I
48	14:22:00	20241023-1353-B400_B.14-48	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref mfg-ad-205p Group Greaney_M
47	14:17:23	20241023-1401-B400_B.14-47	10	H1_Day	h18549ms	+	+	-	+	+	+	+	Ref JB_MS_01_022_T1 Group Bures_J
46	14:12:31	20241023-1319-B400_B.14-46	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref SG01R Group Gibson_M
45	14:07:53	20241023-1317-B400_B.14-45	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H63c (c) Group Larrosa_I
44	14:03:23	20241023-1317-B400_B.14-44	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H63b (c) Group Larrosa_I
43	13:57:52	20241023-1317-B400_B.14-43	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H63a (c) Group Larrosa_I	lock: No status change after 'LOCK on'. -> aborted!
42	13:55:29	20241023-1312-B400_B.14-42	11	P31_Wide_Day	k64888zx	-	+	-	-	-	+	+	Ref zx251-a 24h Group Shaver_M	sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Tol' SR is set to 0.0
42	13:49:53	20241023-1312-B400_B.14-42	10	H1_Day	k64888zx	+	+	-	+	+	+	+	Ref zx251-a 24h Group Shaver_M
41	13:45:12	20241023-1306-B400_B.14-41	12	F19_Quant_D1_8s_Day	n38871ln	-	+	-	-	-	+	+	Ref ln26-1 vac down Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
41	13:42:54	20241023-1306-B400_B.14-41	11	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln26-1 vac down Group Larrosa_I
41	13:38:39	20241023-1306-B400_B.14-41	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln26-1 vac down Group Larrosa_I
40	13:33:56	20241023-1302-B400_B.14-40	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ257_B2 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
40	13:29:17	20241023-1302-B400_B.14-40	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ257_B2 Group Procter_D
39	13:24:21	20241023-1301-B400_B.14-39	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ257_A Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
39	13:18:54	20241023-1301-B400_B.14-39	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ257_A Group Procter_D
38	13:11:05	20241023-1257-B400_B.14-38	10	F19_Quant_D1_8s_Day	r64579jc	+	+	-	+	+	+	+	Ref pox 3 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
37	13:04:38	20241023-1256-B400_B.14-37	11	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 521 crude Group Larrosa_I
37	12:59:53	20241023-1256-B400_B.14-37	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 521 crude Group Larrosa_I
36	12:55:35	20241023-1247-B400_B.14-36	10	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-382-f2 Group DeBo_G
35	12:50:48	20241023-1227-B400_B.14-35	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1467 Crude - Basic CDCl3 Group DeBo_G
34	12:45:59	20241023-1220-B400_B.14-34	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-722-1-column2 Group DeBo_G
33	12:41:35	20241023-1215-B400_B.14-33	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-068 crude (filtrate) Group Riddell_I
32	12:36:07	20241023-1109-B400_B.14-32	10	F19_CPD_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0021B-19F Group DeBo_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
31	12:31:31	20241023-1215-B400_B.14-31	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-067.3 Group Riddell_I
30	12:26:59	20241023-1204-B400_B.14-30	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-105 FT Group James_M
29	12:22:26	20241023-1048-B400_B.14-29	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1627_wash4 Group Procter_D
28	12:17:42	20241023-1142-B400_B.14-28	11	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-105 f18-30 wet Group James_M
27	12:13:04	20241023-1125-B400_B.14-27	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-722-1-cxolumn1 Group DeBo_G
26	12:07:28	20241023-1117-B400_B.14-26	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_13 Group Bures_J
25	12:00:10	20241023-1041-B400_B.14-25	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ257_C Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
24	11:52:01	20241023-1041-B400_B.14-24	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ257_B Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	11:47:17	20241022-1558-B400_B.14-23	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H12t40 Group Gibson_M
22	11:41:50	20241023-1007-B400_B.14-22	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-23d Group Trowbridge_A
21	11:36:05	20241016-1038-B400_B.14-21	13	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241022-6c Group Greaney_M
20	11:31:15	20241023-0937-B400_B.14-20	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-30 Group James_M
19	11:26:12	20241023-0937-B400_B.14-19	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-20 Group James_M
18	11:21:35	20241023-1006-B400_B.14-18	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-23c Group Trowbridge_A
17	11:17:12	20241023-1006-B400_B.14-17	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-23b Group Trowbridge_A
16	11:12:13	20241023-1006-B400_B.14-16	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-23a Group Trowbridge_A
15	11:07:45	20241023-0937-B400_B.14-15	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-14 Group James_M
14	11:03:04	20241023-0937-B400_B.14-14	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-8 Group James_M
13	10:58:05	20241023-0937-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-6 Group James_M
12	10:53:35	20241023-0954-B400_B.14-12	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-068B Group Trowbridge_A
11	10:48:23	20241023-0953-B400_B.14-11	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-068A Group Trowbridge_A
10	10:43:49	20241023-0945-B400_B.14-10	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB172R Group Crisenza_G
9	10:07:35	20241023-0928-B400_B.14-9	10	Si29_DEPT90_Day	v97511sv	+	-	-	-	-	-	-	Ref DPM-SV-KN** Group Mills_D DPM-SV-KN** 29sI DEPT 90
8	10:02:34	20241023-0901-B400_B.14-8	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Urea A Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
8	09:58:32	20241023-0901-B400_B.14-8	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Urea A Group Larrosa_I
7	09:54:20	20241023-0900-B400_B.14-7	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Phen di carbene standard method from imine Group Larrosa_I
3	09:49:23	20241023-0935-B400_B.14-3	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-4 Group James_M
2	09:44:32	20241023-0935-B400_B.14-2	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-2 Group James_M
1	09:39:39	20241023-0935-B400_B.14-1	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-304-1 Group James_M
58	09:34:29	20241023-0921-B400_B.14-58	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref LN-23-1-1 Group Larrosa_I
57	09:29:41	20241023-0859-B400_B.14-57	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1156 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
57	09:25:30	20241023-0859-B400_B.14-57	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1156 Group Larrosa_I
56	09:20:20	20241023-0859-B400_B.14-56	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1155 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
56	09:15:33	20241023-0859-B400_B.14-56	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1155 Group Larrosa_I
55	09:10:43	20241023-0859-B400_B.14-55	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Boronic Complex Ag2O 100 C KOAC Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
55	09:06:39	20241023-0859-B400_B.14-55	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Boronic Complex Ag2O 100 C KOAC Group Larrosa_I
54	09:01:26	20241023-0857-B400_B.14-54	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065D Group Riddell_I
53	08:56:49	20241023-0856-B400_B.14-53	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065C Group Riddell_I
52	08:50:16	20241023-0848-B400_B.14-52	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO_600-3-MON Group DeBo_G
51	08:46:13	20241023-0845-B400_B.14-51	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2069_2 Group Riddell_I
33	07:34:30	20241023-0734-B400_B.14-33	10	H1_Day	mbdxkrn2	+	+	-	+	+	+	+	Ref GDB-RN1467 Mixture after 16h - Basic CDCl3 Group DeBo_G
50	21:35:02	20241022-1838-B400_B.14-50	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-20c Group Trowbridge_A
49	21:29:48	20241022-1838-B400_B.14-49	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-20b Group Trowbridge_A
47	21:24:58	20241022-1838-B400_B.14-47	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-20a Group Trowbridge_A
38	21:20:09	20241022-1836-B400_B.14-38	10	H1_Night	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB064_C_p10 11 Group Procter_D
29	20:51:45	20241022-1800-B400_B.14-29	11	P31_Wide_Night	r64579jc	+	+	-	+	+	+	+	Ref p ox 3 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	20:37:11	20241022-1720-B400_B.14-54	11	C13_CPD_Night256	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0021A_13H Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	20:32:47	20241022-1720-B400_B.14-54	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0021A_1H Group DeBo_G
46	20:27:49	20241022-1630-B400_B.14-46	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065B Group Riddell_I
45	20:23:34	20241022-1623-B400_B.14-45	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 22.4-DJP-AG Group Procter_D
44	20:18:32	20241022-1623-B400_B.14-44	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 25.2-DJP_AG Group Procter_D
43	20:03:32	20241022-1622-B400_B.14-43	12	C13_CPD_Night256	b73025ag	-	+	-	-	-	+	+	Ref 24.6-DJP-AG Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
43	19:59:36	20241022-1622-B400_B.14-43	11	F19_NoCPD_Day	b73025ag	-	+	-	-	-	+	+	Ref 24.6-DJP-AG Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
43	19:54:50	20241022-1622-B400_B.14-43	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 24.6-DJP-AG Group Procter_D
42	19:49:10	20241022-1617-B400_B.14-42	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-0341 T0 (rt 2h) Group Mehta_M
41	19:44:21	20241022-1611-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-60 Group James_M
23	19:27:25	20241022-1558-B400_B.14-23	11	C13_CPD_Night256	a60960ax	+	+	-	+	+	+	+	Ref ax_363 Group Keerthi_A
25	19:23:00	20241022-1552-B400_B.14-25	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-117-1e Group Procter_D
24	19:18:03	20241022-1552-B400_B.14-24	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-117-1d Group Procter_D
19	19:13:33	20241022-1551-B400_B.14-19	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-117-1c Group Procter_D
18	19:08:53	20241022-1551-B400_B.14-18	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-117-1b Group Procter_D
17	19:04:16	20241022-1551-B400_B.14-17	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-117-1a Group Procter_D
37	18:58:00	20241022-1554-B400_B.14-37	11	H1_COSY_Day	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0021B_COSY Group DeBo_G
37	18:53:17	20241022-1554-B400_B.14-37	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0021B_1H Group DeBo_G
36	18:51:10	20241022-1833-B400_B.14-36	11	H1_Quant_NS1_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB065_B_quant Group Procter_D
36	18:46:30	20241022-1833-B400_B.14-36	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB065_B Group Procter_D
35	18:44:23	20241022-1833-B400_B.14-35	11	H1_Quant_NS1_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB065_A_quant Group Procter_D
35	18:39:18	20241022-1833-B400_B.14-35	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB065_A Group Procter_D
34	18:34:43	20241022-1610-B400_B.14-34	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-45 Group James_M
33	18:30:06	20241022-1610-B400_B.14-33	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-30 Group James_M
32	18:25:18	20241022-1610-B400_B.14-32	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-20 Group James_M
28	18:20:34	20241022-1609-B400_B.14-28	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-10 Group James_M
27	18:15:33	20241022-1609-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-5 Group James_M
26	18:10:45	20241022-1609-B400_B.14-26	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-303-2 Group James_M
23	18:05:59	20241022-1558-B400_B.14-23	10	H1_Day	a60960ax	+	+	-	+	+	+	+	Ref ax_363 Group Keerthi_A
22	18:01:15	20241022-1555-B400_B.14-22	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-287 mixt Group Procter_D
21	17:59:17	20241016-1038-B400_B.14-21	12	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ255 Group Procter_D	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
21	17:54:45	20241016-1038-B400_B.14-21	11	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ255 Group Procter_D
20	17:50:28	20241022-1555-B400_B.14-20	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-287 Puro Group Procter_D
16	17:45:52	20241022-1541-B400_B.14-16	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB064_C_mix Group Procter_D
15	17:40:23	20241022-1134-B400_B.14-15	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_11 Group Bures_J
14	17:34:45	20241022-1133-B400_B.14-14	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_10 Group Bures_J
13	17:29:12	20241022-1133-B400_B.14-13	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_9 Group Bures_J
12	17:24:45	20241022-1502-B400_B.14-12	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-94t-1 Group Procter_D
11	17:20:17	20241022-1502-B400_B.14-11	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-94t Group Procter_D
10	17:15:53	20241022-1502-B400_B.14-10	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-94s-1 Group Procter_D
9	17:10:24	20241022-1131-B400_B.14-9	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_8 Group Bures_J
8	17:04:52	20241022-1130-B400_B.14-8	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_7 Group Bures_J
7	16:59:20	20241022-1130-B400_B.14-7	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_6 Group Bures_J
6	16:54:54	20241015-1552-B400_B.14-6	13	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ254 Group Procter_D
5	16:50:17	20241018-1514-B400_B.14-5	11	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-994s Group Procter_D
4	16:45:31	20241017-1457-B400_B.14-4	12	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ253 Group Procter_D
3	16:40:53	20241022-1211-B400_B.14-3	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-60 Group James_M
2	16:36:19	20241022-1211-B400_B.14-2	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-45 Group James_M
1	16:31:49	20241022-1156-B400_B.14-1	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP23_60C_rmx Group DeBo_G
60	16:26:53	20241021-1357-B400_B.14-60	12	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241021-4c Group Greaney_M
59	16:21:57	20241016-1214-B400_B.14-59	14	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241021-3c Group Greaney_M
58	16:16:20	20241022-1124-B400_B.14-58	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_5 Group Bures_J
57	16:10:49	20241022-1124-B400_B.14-57	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_4 Group Bures_J
56	16:04:57	20241022-1123-B400_B.14-56	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_3 Group Bures_J
55	16:00:19	20241021-1340-B400_B.14-55	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241021-2c Group Greaney_M
54	15:55:07	20241021-1322-B400_B.14-54	11	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241021-1c Group Greaney_M
53	15:50:08	20241022-1152-B400_B.14-53	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2069 Group Riddell_I
52	15:44:35	20241022-1119-B400_B.14-52	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_2 Group Bures_J
51	15:39:01	20241022-1119-B400_B.14-51	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_1 Group Bures_J
50	15:33:27	20241022-1118-B400_B.14-50	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	+	-	+	+	Ref JB_MS_01_019_R Group Bures_J
52	15:03:19	20241022-1119-B400_B.14-52	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	x	-	-	-	Ref JB_MS_01_019_2 Group Bures_J	Lock failed after multiple attempts, lock: Command 'lock CD2Cl2' failed. Lock is OFF, Command 'lock CD2Cl2' failed. Lock is OFF
51	15:00:34	20241022-1119-B400_B.14-51	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	x	-	-	-	Ref JB_MS_01_019_1 Group Bures_J	Lock failed after multiple attempts, lock: Command 'lock CD2Cl2' failed. Lock is OFF, Command 'lock CD2Cl2' failed. Lock is OFF
50	14:57:40	20241022-1118-B400_B.14-50	10	F19_Quant_D1_8s_Day	h18549ms	+	+	-	x	-	-	-	Ref JB_MS_01_019_R Group Bures_J	Lock failed after multiple attempts, lock: Command 'lock CD2Cl2' failed. Lock is OFF, Command 'lock CD2Cl2' failed. Lock is OFF
49	12:17:00	20241022-1056-B400_B.14-49	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-30 Group James_M	Automation was stopped by user
48	12:10:44	20241015-1757-B400_B.14-48	13	H1_COSY_Day	n38871ln	-	+	-	-	-	+	+	Ref ln26-1 pure Group Larrosa_I
48	12:05:27	20241015-1757-B400_B.14-48	12	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln26-1 pure Group Larrosa_I
47	12:00:40	20241022-1056-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-20 Group James_M
46	11:55:38	20241022-1121-B400_B.14-46	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-286 coluna 2 Group Procter_D
45	11:52:38	20241022-1058-B400_B.14-45	10	H1_Day	x25009jo	+	+	-	+	-	+	+	Ref GDB-JO-316-proton Group DeBo_G	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/DeBo_G/data/x25009jo/nmr/20241022-1058-B400_B.14-45/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/DeBo_G/data/x25009jo/nmr/20241022-1058-B400_B.14-45/10/pdata/1/peaks!
44	11:49:37	20241022-1058-B400_B.14-44	10	H1_Day	x25009jo	+	+	-	+	-	+	+	Ref GDB-JO-719-proton Group DeBo_G	pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/DeBo_G/data/x25009jo/nmr/20241022-1058-B400_B.14-44/10/pdata/1/peaks!, pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/DeBo_G/data/x25009jo/nmr/20241022-1058-B400_B.14-44/10/pdata/1/peaks!
43	11:44:54	20241022-1056-B400_B.14-43	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-10 Group James_M
42	11:39:57	20241022-1056-B400_B.14-42	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-5 Group James_M
41	11:34:56	20241022-1056-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-302-2 Group James_M
39	11:31:23	20241022-1053-B400_B.14-39	10	H1_ExtraWide_Day	mbgnrjs3	+	+	-	+	+	+	+	Ref STL-JS-Bi3 crude material - lots of insoluble solid Group Liddle_S
38	11:28:09	20241022-1052-B400_B.14-38	10	H1_ExtraWide_Day	mbgnrjs3	+	+	-	+	+	+	+	Ref STL-JS-Bi3 synthesis from heating Group Liddle_S
37	11:25:02	20241022-1052-B400_B.14-37	10	H1_ExtraWide_Day	mbgnrjs3	+	+	-	+	+	+	+	Ref STL-JS-Bi2 crude product left in box Group Liddle_S
36	11:20:06	20241022-1022-B400_B.14-36	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1156 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
36	11:15:50	20241022-1022-B400_B.14-36	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1156 Group Larrosa_I
35	11:08:40	20241022-1022-B400_B.14-35	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1155 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
35	11:04:22	20241022-1022-B400_B.14-35	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1155 Group Larrosa_I
34	10:57:20	20241022-1004-B400_B.14-34	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ256_E Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
33	10:49:44	20241022-1004-B400_B.14-33	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ256_D Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
32	10:44:43	20241022-1022-B400_B.14-32	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Complex A Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
32	10:40:22	20241022-1022-B400_B.14-32	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Complex A Group Larrosa_I
31	10:35:45	20241022-0939-B400_B.14-31	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-3f Group Trowbridge_A
30	10:31:04	20241022-0939-B400_B.14-30	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-3e Group Trowbridge_A
29	10:26:26	20241022-0939-B400_B.14-29	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-3d Group Trowbridge_A
28	10:19:42	20241022-1003-B400_B.14-28	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ256_C Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27	10:12:55	20241022-1003-B400_B.14-27	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ256_B Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26	10:05:48	20241022-1002-B400_B.14-26	10	F19_Quant_D1_8s_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ256_A Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
25	10:01:08	20241022-0938-B400_B.14-25	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-3c Group Trowbridge_A
24	09:56:44	20241022-0938-B400_B.14-24	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-3b Group Trowbridge_A
23	09:50:52	20241022-0938-B400_B.14-23	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-3a Group Trowbridge_A
22	09:45:51	20241022-0937-B400_B.14-22	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-19-p1 Group Trowbridge_A
20	09:41:09	20241022-0931-B400_B.14-20	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-065B Group Trowbridge_A
19	09:36:24	20241022-0931-B400_B.14-19	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-065A Group Trowbridge_A
18	09:32:15	20241022-0927-B400_B.14-18	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW_2070-D Group Riddell_I
17	09:27:39	20241022-0927-B400_B.14-17	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2070-L Group Riddell_I
32	09:14:05	20241022-0908-B400_B.14-32	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-60 Group James_M
31	09:09:24	20241022-0908-B400_B.14-31	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-45 Group James_M
28	08:43:44	20241022-0814-B400_B.14-28	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref LN-26 Group Larrosa_I
24	08:38:47	20241022-0814-B400_B.14-24	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Boronic Ag2O 100 C Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24	08:34:20	20241022-0814-B400_B.14-24	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Boronic Ag2O 100 C Group Larrosa_I
23	08:29:56	20241022-0814-B400_B.14-23	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Bis carbene Ag2O 100 C Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23	08:25:02	20241022-0814-B400_B.14-23	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Bis carbene Ag2O 100 C Group Larrosa_I
22	08:19:11	20241022-0814-B400_B.14-22	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Urea binaftyl Ag2O 100 C Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
22	08:14:55	20241022-0814-B400_B.14-22	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Urea binaftyl Ag2O 100 C Group Larrosa_I
19	08:10:05	20241022-0744-B400_B.14-19	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-30 Group James_M
18	08:05:31	20241022-0744-B400_B.14-18	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-20 Group James_M
17	08:00:46	20241022-0744-B400_B.14-17	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-15 Group James_M
13	07:56:19	20241022-0744-B400_B.14-13	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-10 Group James_M
12	07:51:36	20241022-0744-B400_B.14-12	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-5 Group James_M
11	07:46:48	20241022-0744-B400_B.14-11	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-301-2 Group James_M
17	00:24:06	20241021-2045-B400_B.14-17	14	H1_COSY_HiRes_Night	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-236 Group DeBo_G
17	00:05:42	20241021-2045-B400_B.14-17	13	H1_C13_HMBC_US_Night	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-236 Group DeBo_G
17	23:53:22	20241021-2045-B400_B.14-17	12	H1_C13_HSQC_US_Night	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-236 Group DeBo_G
17	23:38:51	20241021-2045-B400_B.14-17	11	C13_CPD_Night256	y52364mw	-	+	-	-	-	+	+	Ref GDB-MJ-236 Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	23:34:33	20241021-2045-B400_B.14-17	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-236 Group DeBo_G
16	23:30:12	20241021-2045-B400_B.14-16	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-48-P2 Group DeBo_G
15	23:26:08	20241021-2044-B400_B.14-15	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-48-P1 Group DeBo_G
14	23:22:10	20241021-2044-B400_B.14-14	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-43-P2 Group DeBo_G
13	23:17:44	20241021-2044-B400_B.14-13	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-43-P1 Group DeBo_G
12	23:13:36	20241021-2042-B400_B.14-12	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-49-P2 Group DeBo_G
11	23:09:10	20241021-2042-B400_B.14-11	10	H1_Night	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-49-P1 Group DeBo_G
28	23:05:08	20241021-1934-B400_B.14-28	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-264b T1 Group Webb_S
27	23:00:34	20241021-1934-B400_B.14-27	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250bPyDBU F2 Group Webb_S
38	22:46:07	20241021-1931-B400_B.14-38	12	C13_CPD_Night256	z65435tw	-	+	-	-	-	+	+	Ref tw-742--nmr-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
38	22:41:37	20241021-1931-B400_B.14-38	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-742-p-1h-cdcl3 Group Crisenza_G
37	22:26:41	20241021-1931-B400_B.14-37	12	C13_CPD_Night256	z65435tw	-	+	-	-	-	+	+	Ref tw-737-p-nmr-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
37	22:23:39	20241021-1931-B400_B.14-37	11	F19_CPD_Day	z65435tw	-	+	-	-	-	+	+	Ref tw-737-p-nmr-19f-cdcl3 Group Crisenza_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
37	22:17:55	20241021-1931-B400_B.14-37	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-737-p-nmr-1h-cdcl3 Group Crisenza_G
36	22:03:24	20241021-1923-B400_B.14-36	11	C13_CPD_Night256	u36788yy	-	+	-	-	-	+	+	Ref 1.1N3AibOH Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
36	21:58:29	20241021-1923-B400_B.14-36	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.1N3AibOH Group Webb_S
51	21:53:19	20241021-1839-B400_B.14-51	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-300-40 Group James_M
50	21:48:28	20241021-1839-B400_B.14-50	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-300-30 Group James_M
49	21:43:42	20241021-1839-B400_B.14-49	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-300-20 Group James_M
43	21:38:57	20241021-1838-B400_B.14-43	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-300-15 Group James_M
42	21:34:14	20241021-1837-B400_B.14-42	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-300-10 Group James_M
41	21:29:21	20241021-1837-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-300-5 Group James_M
35	21:24:30	20241021-1834-B400_B.14-35	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-299-40 Group James_M
34	21:19:29	20241021-1834-B400_B.14-34	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-299-30 Group James_M
25	21:02:07	20241021-1755-B400_B.14-25	11	C13_CPD_Night256	b28949om	+	+	-	+	+	+	+	Ref ojm-002a Group Goodwin_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	20:45:17	20241021-1726-B400_B.14-9	11	C13_CPD_Night256	z65435tw	+	+	-	+	+	+	+	Ref tw-723-p-13c-cdcl3 Group Crisenza_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	20:36:49	20241017-1457-B400_B.14-4	14	C13_DEPT135_Night	n37729zl	-	+	-	-	-	+	+	Ref 241019-10a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	20:20:03	20241017-1457-B400_B.14-4	13	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241019-10a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	20:09:06	20241021-1033-B400_B.14-3	15	C13_DEPT135_Night	n37729zl	+	+	-	+	+	+	+	Ref 241019-8a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	19:50:41	20241021-1446-B400_B.14-26	15	H1_C13_HMBC_US_Night	j92926fr	-	+	-	-	-	+	+	Ref formylethinylestradiol Group Webb_S
26	19:26:55	20241021-1446-B400_B.14-26	14	H1_C13_HSQCed_Night	j92926fr	-	+	-	-	-	+	+	Ref formylethinylestradiol Group Webb_S	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
26	19:24:43	20241021-1446-B400_B.14-26	13	H1_Night	j92926fr	-	+	-	-	-	+	+	Ref formylethinylestradiol Group Webb_S
26	19:09:57	20241021-1446-B400_B.14-26	12	C13_CPD_Night256	j92926fr	-	+	-	-	-	+	+	Ref formylethinylestradiol Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	18:55:28	20241021-1446-B400_B.14-26	11	H1_COSY_HiRes_Night	j92926fr	+	+	-	+	+	+	+	Ref formylethinylestradiol Group Webb_S
33	18:50:32	20241021-1834-B400_B.14-33	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-299-20 Group James_M
29	18:45:41	20241021-1833-B400_B.14-29	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-299-15 Group James_M
28	18:41:10	20241021-1833-B400_B.14-28	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-299-10 Group James_M
27	18:36:21	20241021-1833-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-299-5 Group James_M
25	18:32:02	20241021-1755-B400_B.14-25	10	H1_Night	b28949om	+	+	-	+	+	+	+	Ref oj-002a Group Goodwin_C
16	18:27:25	20241021-1823-B400_B.14-16	10	H1_Day	m77881am	+	+	-	+	+	+	+	Ref DJP-AL-287 crude Group Procter_D
15	18:25:13	20241021-1759-B400_B.14-15	11	H1_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB064_C Group Procter_D
15	18:21:18	20241021-1759-B400_B.14-15	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB064_C_quant Group Procter_D
14	18:19:06	20241021-1759-B400_B.14-14	11	H1_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB064_A Group Procter_D
14	18:15:24	20241021-1759-B400_B.14-14	10	H1_Quant_NS1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB064_A_quant Group Procter_D
13	18:10:55	20241021-1757-B400_B.14-13	10	H1_Day	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-62-SM Group Procter_D
12	18:06:07	20241021-1757-B400_B.14-12	10	H1_Day	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-62-0 Group Procter_D
11	18:01:38	20241021-1728-B400_B.14-11	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-N3Aib4SerNHtBU Group Webb_S
10	17:56:55	20241021-1728-B400_B.14-10	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b PyDBU F1 Group Webb_S
9	17:52:25	20241021-1726-B400_B.14-9	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-723-p-1h-cdcl3 Group Crisenza_G
8	17:45:00	20241021-1725-B400_B.14-8	10	H1_WaterSupp_Day	n67799bm	+	+	-	+	+	+	+	Ref SD-5hrs Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	17:42:15	20241021-1714-B400_B.14-7	11	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-18-p2 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
7	17:35:58	20241021-1714-B400_B.14-7	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-18-p2 Group Trowbridge_A
5	17:31:38	20241018-1514-B400_B.14-5	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln40-1 Group Larrosa_I
3	17:14:23	20241021-1033-B400_B.14-3	14	C13_CPD_Night256	n37729zl	+	+	-	+	+	+	+	Ref 241019-8a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	16:57:36	20241021-1358-B400_B.14-1	11	C13_CPD_Night256	f14199vs	+	+	-	+	+	+	+	Ref vs-n-hel3 Group Keerthi_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
4	16:53:06	20241017-1457-B400_B.14-4	12	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241019-10a Group Greaney_M
3	16:50:46	20241021-1033-B400_B.14-3	13	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241019-8a 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
3	16:46:27	20241021-1033-B400_B.14-3	12	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241019-8a Group Greaney_M
2	16:41:42	20241021-1626-B400_B.14-2	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-720-1B Group DeBo_G
60	16:24:01	20241021-1357-B400_B.14-60	11	C13_CPD_Night256	f14199vs	+	+	-	+	+	+	+	Ref vs-n-hel-2 Group Keerthi_A	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	16:15:01	20241021-1610-B400_B.14-49	10	H1_Day	d53465xy	+	+	-	+	x	+	+	Ref XY299-4 Group DeBo_G recheck	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
47	16:10:11	20241021-1528-B400_B.14-47	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-298-60 Group James_M
46	16:05:27	20241021-1528-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-298-45 Group James_M
45	16:00:23	20241021-1528-B400_B.14-45	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-298-30 Group James_M
41	15:55:31	20241021-1527-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-298-15 Group James_M
39	15:50:46	20241021-1527-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-298-10 Group James_M
38	15:46:10	20241021-1527-B400_B.14-38	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-298-5 Group James_M
34	15:41:00	20241021-1435-B400_B.14-34	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-45 Group James_M
33	15:36:07	20241021-1435-B400_B.14-33	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-30 Group James_M
29	15:31:14	20241021-1435-B400_B.14-29	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-24 Group James_M
28	15:26:46	20241021-1434-B400_B.14-28	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-18 Group James_M
27	15:21:46	20241021-1434-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-12 Group James_M
26	15:16:58	20241021-1446-B400_B.14-26	10	H1_Day	j92926fr	+	+	-	+	+	+	+	Ref formylethinylestradiol Group Webb_S
24	15:11:52	20241021-1507-B400_B.14-24	10	F19_CPD_Day	q50682hk	+	+	-	+	+	+	+	Ref hk-01bcffl19 Group Willcox_D	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
23	15:07:05	20241021-1433-B400_B.14-23	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-6 Group James_M
22	15:02:20	20241021-1433-B400_B.14-22	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-4 Group James_M
20	14:57:20	20241021-1433-B400_B.14-20	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-297-2 Group James_M
19	14:55:11	20241021-1430-B400_B.14-19	12	F19_CPD_Day	y37570lc	-	+	-	-	-	+	+	Ref lc GEM Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
19	14:53:18	20241021-1430-B400_B.14-19	11	F19_NoCPD_Day	y37570lc	-	+	-	-	-	+	+	Ref lc GEM Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
19	14:49:14	20241021-1430-B400_B.14-19	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc GEM Group DeBo_G
18	14:46:59	20241021-1428-B400_B.14-18	12	F19_CPD_Day	y37570lc	-	+	-	-	-	+	+	Ref lc GEM CD£CN H2O Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18	14:44:58	20241021-1428-B400_B.14-18	11	F19_NoCPD_Day	y37570lc	-	+	-	-	-	+	+	Ref lc GEM CD£CN H2O Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18	14:40:42	20241021-1428-B400_B.14-18	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc GEM CD£CN H2O Group DeBo_G
17	14:38:36	20241021-1000-B400_B.14-17	12	P31_CPD_Day	m56540yz	-	+	-	-	-	+	+	Ref yy-4 Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Schroder_M/data/m56540yz/nmr/20241021-1000-B400_B.14-17/12/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Schroder_M/data/m56540yz/nmr/20241021-1000-B400_B.14-17/12/pdata/1/peaks!
17	14:34:07	20241021-1000-B400_B.14-17	11	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref yy-4 Group Schroder_M
16	14:31:54	20241021-1347-B400_B.14-16	11	P31_CPD_Day	m56540yz	-	+	-	-	-	+	+	Ref yy-3 Group Schroder_M	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Schroder_M/data/m56540yz/nmr/20241021-1347-B400_B.14-16/11/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Schroder_M/data/m56540yz/nmr/20241021-1347-B400_B.14-16/11/pdata/1/peaks!
16	14:27:32	20241021-1347-B400_B.14-16	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref yy-3 Group Schroder_M
10	14:23:20	20241021-1344-B400_B.14-10	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref YY-1 Group Schroder_M
9	14:18:55	20241021-1345-B400_B.14-9	10	H1_Day	m56540yz	+	+	-	+	+	+	+	Ref YY-2 Group Schroder_M
2	14:14:24	20241021-1409-B400_B.14-2	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-DiF-PhPy Group Larrosa_I
1	14:09:56	20241021-1358-B400_B.14-1	10	H1_Day	f14199vs	+	+	-	+	+	+	+	Ref vs-n-hel3 Group Keerthi_A
60	14:05:18	20241021-1357-B400_B.14-60	10	H1_Day	f14199vs	+	+	-	+	+	+	+	Ref vs-n-hel-2 Group Keerthi_A
58	14:00:31	20241021-1324-B400_B.14-58	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-14b Group Trowbridge_A
55	13:55:10	20241021-1340-B400_B.14-55	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB172R Group Crisenza_G
54	13:49:58	20241021-1322-B400_B.14-54	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-3b Group Trowbridge_A
53	13:47:25	20241021-1322-B400_B.14-53	11	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-14a 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
53	13:40:16	20241021-1322-B400_B.14-53	10	H1_Wide_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-14a Group Trowbridge_A
52	13:37:53	20241021-1322-B400_B.14-52	11	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-3a 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	13:32:39	20241021-1322-B400_B.14-52	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-3a Group Trowbridge_A
51	13:26:22	20241021-1307-B400_B.14-51	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK042 fd in D2O Group Gibson_M JK042 fd in D2O
51	13:22:04	20241021-1307-B400_B.14-51	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK042 fd in D2O Group Gibson_M JK042 fd in D2O
47	13:20:13	20241021-1305-B400_B.14-47	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ252 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
47	13:15:28	20241021-1305-B400_B.14-47	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ252 Group Procter_D
46	13:10:34	20241021-1208-B400_B.14-46	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-60 Group James_M
45	13:05:18	20241021-1259-B400_B.14-45	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.5NH2Aib2OtBu Group Webb_S
44	13:00:31	20241021-1253-B400_B.14-44	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-2a Group Trowbridge_A
43	12:55:11	20241021-1246-B400_B.14-43	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-720-1-A Group DeBo_G
42	12:50:21	20241021-1207-B400_B.14-42	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-40 Group James_M
41	12:45:36	20241021-1207-B400_B.14-41	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-295-60 Group James_M
39	12:40:49	20241021-1207-B400_B.14-39	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-295-40 Group James_M
38	12:35:57	20241021-1205-B400_B.14-38	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg83b Group Webb_S
37	12:31:27	20241021-1204-B400_B.14-37	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg83a Group Webb_S
36	12:28:54	20241021-1143-B400_B.14-36	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ_FAld_DIST Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
36	12:24:09	20241021-1143-B400_B.14-36	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ_FAld_DIST Group Procter_D
35	12:19:25	20241021-1130-B400_B.14-35	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-20 Group James_M
34	12:14:41	20241021-1130-B400_B.14-34	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-10 Group James_M
33	12:09:44	20241021-1130-B400_B.14-33	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-5 Group James_M
32	12:05:11	20241021-1138-B400_B.14-32	10	H1_Day	mbds07706tl	+	+	-	+	+	+	+	Ref MG-TYL028R Group Other Mg-TYL028 reactant mma
31	12:00:19	20241021-1137-B400_B.14-31	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-Di-F-PhPy Group Larrosa_I
30	11:50:55	20241021-1134-B400_B.14-30	11	H1_Quant_D1_25s_Day	n38871ln	-	+	-	-	-	+	+	Ref ln33-3-3 3 d Group Larrosa_I
30	11:46:30	20241021-1134-B400_B.14-30	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-3 3 d Group Larrosa_I
29	11:41:40	20241021-1129-B400_B.14-29	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-295-20 Group James_M
28	11:36:56	20241021-1129-B400_B.14-28	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-295-10 Group James_M
27	11:32:26	20241021-1129-B400_B.14-27	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-295-5 Group James_M
26	11:27:57	20241021-1103-B400_B.14-26	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G6t40 Group Gibson_M
25	11:23:42	20241021-1103-B400_B.14-25	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F6t40 Group Gibson_M
24	11:05:21	20241021-1103-B400_B.14-24	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E6t40 Group Gibson_M	Automation was stopped by user
10	10:45:40	20241021-1041-B400_B.14-10	10	C13_CPD_Night256	b06681sg	+	+	-	+	+	+	+	Ref SG-03_MG Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	10:40:48	20241021-0830-B400_B.14-7	11	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-45c repeat Group Trowbridge_A
3	10:38:22	20241021-1033-B400_B.14-3	11	F19_CPD_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-16-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
3	10:33:43	20241021-1033-B400_B.14-3	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-16-p1 Group Trowbridge_A
2	10:20:59	20241021-1020-B400_B.14-2	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1627nowash Group Procter_D
1	10:12:58	20241021-1007-B400_B.14-1	10	F19_CPD_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0018B-19F Group DeBo_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
17	10:08:17	20241021-1000-B400_B.14-17	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1627_wash3 Group Procter_D
16	09:53:17	20241021-0937-B400_B.14-16	12	C13_CPD_Night256	b06681sg	-	+	-	-	-	+	+	Ref SG04-MG Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	09:50:54	20241021-0937-B400_B.14-16	11	F19_CPD_Day	b06681sg	-	+	-	-	-	+	+	Ref SG04-MG Group Gibson_M	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
16	09:46:44	20241021-0937-B400_B.14-16	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref SG04-MG Group Gibson_M
15	09:40:50	20241021-0939-B400_B.14-15	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1627_wash2 Group Procter_D
14	09:34:09	20241020-1556-B400_B.14-14	11	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-44 - 45 c repeat Group Trowbridge_A
9	08:55:38	20241021-0855-B400_B.14-9	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC1627wash1 Group Procter_D
8	08:39:46	20241021-0830-B400_B.14-8	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Squramide salt quinolie F Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
8	08:35:31	20241021-0830-B400_B.14-8	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Squramide salt quinolie F Group Larrosa_I
7	08:30:48	20241021-0830-B400_B.14-7	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Mono phen Mes Group Larrosa_I
2	22:01:51	20241020-2201-B400_B.14-2	10	H1_Night	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-61-0 Group Procter_D
23	20:57:12	20241020-2056-B400_B.14-23	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-035 PhPy in dioxane Group Mehta_M
22	19:49:14	20241020-1948-B400_B.14-22	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3-038 B product in dioxane Group Mehta_M
20	18:31:59	20241020-1815-B400_B.14-20	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-039 C Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
19	18:24:49	20241020-1815-B400_B.14-19	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-039 B Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
18	18:17:45	20241020-1815-B400_B.14-18	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-039 A Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
17	17:20:34	20241020-1700-B400_B.14-17	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-6 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	17:05:49	20241020-1700-B400_B.14-17	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-6 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	17:01:38	20241020-1700-B400_B.14-17	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-93-6 Group Procter_D
16	16:38:54	20241020-1556-B400_B.14-16	10	H1_Quant_D1_25s_Day	b72547am	+	+	-	+	+	+	+	Ref 3-212R4 Group Larrosa_I
15	16:27:13	20241020-1556-B400_B.14-15	10	H1_Quant_D1_25s_Day	b72547am	+	+	-	+	+	+	+	Ref 3-212R3 Group Larrosa_I
14	16:15:31	20241020-1556-B400_B.14-14	10	H1_Quant_D1_25s_Day	b72547am	+	+	-	+	+	+	+	Ref 3-212R2 Group Larrosa_I
13	16:04:01	20241020-1556-B400_B.14-13	10	H1_Quant_D1_25s_Day	b72547am	+	+	-	+	+	+	+	Ref 3-212R1 Group Larrosa_I
12	16:00:02	20241020-1554-B400_B.14-12	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 3-195R2 Group Larrosa_I
11	15:55:43	20241020-1554-B400_B.14-11	10	H1_Day	b72547am	+	+	-	+	+	+	+	Ref 3-216R2 Group Larrosa_I
9	13:44:44	20241020-1308-B400_B.14-9	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Diimine Phen Mesytil 100 C Tol Group Larrosa_I
8	13:39:44	20241020-1308-B400_B.14-8	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Imine squaramide tol 100 C 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	13:35:11	20241020-1308-B400_B.14-8	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Imine squaramide tol 100 C Group Larrosa_I
7	13:30:34	20241020-1308-B400_B.14-7	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Boronic Complex !g2CO34 Group Larrosa_I
1	13:22:06	20241020-1301-B400_B.14-1	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-7 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	13:07:40	20241020-1301-B400_B.14-1	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-7 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	13:03:18	20241020-1301-B400_B.14-1	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-93-7 Group Procter_D
2	23:52:47	20241019-2346-B400_B.14-2	10	H1_Night	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-60-2 Group Procter_D
1	23:48:23	20241019-2346-B400_B.14-1	10	H1_Night	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-60-1 Group Procter_D
3	21:19:21	20241019-2003-B400_B.14-3	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-(4+5) Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	21:04:56	20241019-2003-B400_B.14-3	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-(4+5) Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	21:00:28	20241019-2003-B400_B.14-3	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-93-(4+5) Group Procter_D
2	20:51:59	20241019-2003-B400_B.14-2	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-92-1 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	20:37:34	20241019-2003-B400_B.14-2	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-92-1 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	20:32:51	20241019-2003-B400_B.14-2	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-92-1 Group Procter_D
1	20:24:23	20241019-2003-B400_B.14-1	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-3 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	20:09:55	20241019-2003-B400_B.14-1	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-93-3 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	20:04:55	20241019-2003-B400_B.14-1	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-93-3 Group Procter_D
13	18:52:09	20241019-1701-B400_B.14-13	16	H1_C13_HSQC_US_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-103 f31-49 Group James_M
13	18:33:45	20241019-1701-B400_B.14-13	15	H1_C13_HMBC_US_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-103 f31-49 Group James_M
13	18:31:34	20241019-1701-B400_B.14-13	14	H1_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-103 f31-49 Group James_M
13	18:19:47	20241019-1701-B400_B.14-13	13	H1_COSY_HiRes_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-103 f31-49 Group James_M
13	18:11:20	20241019-1701-B400_B.14-13	12	C13_DEPT135_Night	a15978el	-	+	-	-	-	+	+	Ref EL-03-103 f31-49 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	17:56:54	20241019-1701-B400_B.14-13	11	C13_CPD_Night256	a15978el	-	+	-	-	-	+	+	Ref EL-03-103 f31-49 Group James_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	17:52:06	20241019-1701-B400_B.14-13	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-103 f31-49 Group James_M
12	17:40:55	20241019-1654-B400_B.14-12	10	C13_DEPT135_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-93-2 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	17:29:27	20241019-1654-B400_B.14-11	10	C13_DEPT135_Night	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-93-1 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
56	17:24:52	20241019-1637-B400_B.14-56	10	H1_Day	z88883sp	+	+	-	+	+	+	+	Ref SP285c Group Romanov_A SP285c column 100% DCM band, added to SP285 NMR sample
3	17:19:26	20241019-1615-B400_B.14-3	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1e Group Trowbridge_A
8	17:13:56	20241019-1615-B400_B.14-8	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1f Group Trowbridge_A
9	17:09:30	20241019-1615-B400_B.14-9	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1g Group Trowbridge_A
10	17:05:07	20241019-1615-B400_B.14-10	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1h Group Trowbridge_A
2	17:00:34	20241019-1608-B400_B.14-2	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP_GB063 Group Procter_D
1	16:55:57	20241019-1608-B400_B.14-1	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP_GB062 Group Procter_D
60	16:53:15	20241019-1607-B400_B.14-60	11	F19_CPD_Day	w57618gb	-	+	-	-	-	+	+	Ref DJP-GB054_F2_19F Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
60	16:48:26	20241019-1607-B400_B.14-60	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB054_F2 Group Procter_D
52	16:43:18	20241019-1552-B400_B.14-52	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
55	16:39:10	20241016-1905-B400_B.14-55	12	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1d Group Trowbridge_A
54	16:34:05	20241016-1904-B400_B.14-54	12	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1c Group Trowbridge_A
53	16:28:49	20241017-1423-B400_B.14-53	12	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1b Group Trowbridge_A
50	16:23:08	20241019-1539-B400_B.14-50	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh3-1-1a Group Trowbridge_A
51	16:18:15	20241019-1531-B400_B.14-51	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-426-ar-b Group Procter_D
49	16:05:55	20241019-1524-B400_B.14-49	13	H1_C13_HSQC_US_Night	x25009jo	-	+	-	-	-	+	+	Ref GDB-JO-316-3-FC Group DeBo_G
49	15:47:31	20241019-1524-B400_B.14-49	12	H1_C13_HMBC_US_Night	x25009jo	-	+	-	-	-	+	+	Ref GDB-JO-316-3-FC Group DeBo_G
49	15:32:47	20241019-1524-B400_B.14-49	11	C13_CPD_Night256	x25009jo	-	+	-	-	-	+	+	Ref GDB-JO-316-3-FC Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
49	15:27:44	20241019-1524-B400_B.14-49	10	H1_Night	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-316-3-FC Group DeBo_G
59	15:23:17	20241016-1214-B400_B.14-59	18	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241015-3b Group Greaney_M
49	15:15:03	20241019-1514-B400_B.14-49	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-316-3 Group DeBo_G
26	14:58:05	20241019-1443-B400_B.14-26	10	H1_Day	p12053vc	+	+	-	+	+	+	+	Ref VC849control Group Procter_D
25	14:53:47	20241019-1442-B400_B.14-25	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-116-1a Group Procter_D
24	14:49:26	20241019-1437-B400_B.14-24	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-353-(b) Group Greaney_M
22	14:44:22	20241019-1437-B400_B.14-22	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref MFG-AC-353-(a) Group Greaney_M
23	14:39:11	20241019-1426-B400_B.14-23	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-426-ar Group Procter_D
21	14:34:17	20241016-1038-B400_B.14-21	11	H1_Day	a65458sz	+	+	-	+	+	+	+	Ref DJP-SZ5-60-0 Group Procter_D
22	14:30:05	20241019-1332-B400_B.14-22	14	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref JC-517-2 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241019-1332-B400_B.14-22/14/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/u50028ip/nmr/20241019-1332-B400_B.14-22/14/pdata/1/peaks!
22	14:25:24	20241019-1332-B400_B.14-22	13	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref JC-517-2 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
22	14:21:01	20241019-1332-B400_B.14-22	12	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref JC-517-2 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
22	14:18:02	20241019-1332-B400_B.14-22	11	P31_Extrawide_Day	u50028ip	-	+	-	-	-	+	+	Ref JC-517-2 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
22	14:13:49	20241019-1332-B400_B.14-22	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref JC-517-2 Group Larrosa_I
20	14:09:02	20241019-1313-B400_B.14-20	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16401 Group Crisenza_G
19	14:04:31	20241019-1313-B400_B.14-19	10	H1_Day	x06125gb	+	+	-	+	+	+	+	Ref GCGB16301 Group Crisenza_G
14	13:59:57	20241019-1254-B400_B.14-14	10	H1_Day	r95653cr	+	+	-	+	+	+	+	Ref cr-ketone Group Procter_D
13	13:55:32	20241019-1238-B400_B.14-13	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-718-1-column1 Group DeBo_G
27	13:50:41	20241019-1209-B400_B.14-27	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1140 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27	13:45:59	20241019-1209-B400_B.14-27	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1140 Group Larrosa_I
26	13:41:05	20241019-1209-B400_B.14-26	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1138 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
26	13:36:50	20241019-1209-B400_B.14-26	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1138 Group Larrosa_I
18	13:30:55	20241019-1208-B400_B.14-18	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1144 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
18	13:26:57	20241019-1208-B400_B.14-18	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1144 Group Larrosa_I
17	13:22:08	20241019-1208-B400_B.14-17	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1139 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
17	13:17:43	20241019-1208-B400_B.14-17	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1139 Group Larrosa_I
16	13:12:18	20241019-1208-B400_B.14-16	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref NP-1130 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
16	13:07:50	20241019-1208-B400_B.14-16	10	H1_Quant_NS1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1130 Group Larrosa_I
12	13:01:48	20241019-1206-B400_B.14-12	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1114 Group Larrosa_I
11	12:57:18	20241019-1206-B400_B.14-11	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1113 Group Larrosa_I
10	12:51:55	20241019-1206-B400_B.14-10	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref NP-1145 Group Larrosa_I
9	12:49:25	20241019-1203-B400_B.14-9	12	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-4OMe-Phos cat Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
9	12:46:44	20241019-1203-B400_B.14-9	11	F19_CPD_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-4OMe-Phos cat 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
9	12:41:45	20241019-1203-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-4OMe-Phos cat Group Trowbridge_A
8	12:39:25	20241019-1047-B400_B.14-8	13	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-18-p2 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
8	12:36:44	20241019-1047-B400_B.14-8	12	F19_CPD_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-18-p2 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
8	12:31:21	20241019-1047-B400_B.14-8	11	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-18-p2 Group Trowbridge_A
3	12:22:54	20241019-1134-B400_B.14-3	12	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-90 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	12:08:27	20241019-1134-B400_B.14-3	11	C13_CPD_Night256	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-90 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
3	12:03:58	20241019-1134-B400_B.14-3	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-90 Group Procter_D
2	11:55:31	20241019-1134-B400_B.14-2	11	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-94-1 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
2	11:50:53	20241019-1134-B400_B.14-2	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-94-1 Group Procter_D
1	11:42:05	20241019-1134-B400_B.14-1	11	C13_DEPT135_Night	a74776dr	-	+	-	-	-	+	+	Ref DJP-DR-1-92 Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	11:36:54	20241019-1134-B400_B.14-1	10	H1_Day	a74776dr	+	+	-	+	+	+	+	Ref DJP-DR-1-92 Group Procter_D
15	11:09:04	20241019-1048-B400_B.14-15	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Dippene squaramide Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'DMSO' SR is set to 0.0
15	11:04:40	20241019-1048-B400_B.14-15	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Dippene squaramide Group Larrosa_I
14	11:00:38	20241019-1048-B400_B.14-14	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Bis carbene Phen KHDMS Group Larrosa_I
10	10:56:36	20241019-1047-B400_B.14-10	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Bis carbene Phen Cs2CO3 Group Larrosa_I
9	10:52:24	20241019-1047-B400_B.14-9	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Quinoline boronic complex Group Larrosa_I
8	10:47:35	20241019-1047-B400_B.14-8	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref OH Quinolien complex neutral Group Larrosa_I
31	10:28:35	20241019-0921-B400_B.14-31	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1372 Group Larrosa_I
30	10:17:21	20241019-0921-B400_B.14-30	10	H1_Quant_D1_25s_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1365 Group Larrosa_I
29	10:12:50	20241018-1858-B400_B.14-29	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-740-c-1h-cdcl3 Group Crisenza_G
25	09:58:25	20241018-1839-B400_B.14-25	12	C13_CPD_Night256	n38871ln	-	+	-	-	-	+	+	Ref ln39-1 fracs 28-44 Group Larrosa_I
25	09:44:05	20241018-1839-B400_B.14-25	11	H1_COSY_HiRes_Night	n38871ln	+	+	-	+	+	+	+	Ref ln39-1 fracs 28-44 Group Larrosa_I
27	09:29:06	20241018-1839-B400_B.14-27	13	C13_CPD_Night256	n38871ln	-	+	-	-	-	+	+	Ref ln39-1 fracs 45-55 Group Larrosa_I
27	09:17:13	20241018-1839-B400_B.14-27	12	H1_COSY_HiRes_Night	n38871ln	-	+	-	-	-	+	+	Ref ln39-1 fracs 45-55 Group Larrosa_I
27	09:10:50	20241018-1839-B400_B.14-27	11	H1_Quant_Night	n38871ln	-	+	-	-	-	+	+	Ref ln39-1 fracs 45-55 Group Larrosa_I
27	09:05:50	20241018-1839-B400_B.14-27	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln39-1 fracs 45-55 Group Larrosa_I
11	08:54:19	20241018-1713-B400_B.14-11	11	F19_CPD_Night	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF3B Group Larrosa_I AF3B - complex from novel ligand B	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
44	08:30:27	20241018-1600-B400_B.14-44	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_7 Group Dryfe_R cu foil -1.4v 6hr
43	08:06:18	20241018-1600-B400_B.14-43	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_6 Group Dryfe_R cu foil -1.4v 5hr
42	07:37:52	20241018-1559-B400_B.14-42	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	x	+	+	Ref rd_ii_5 Group Dryfe_R cu foil -1.4v 4hr	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
39	07:13:55	20241018-1558-B400_B.14-39	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_4 Group Dryfe_R cu foil -1.4V 3hr
38	06:50:02	20241018-1558-B400_B.14-38	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_3 Group Dryfe_R cu foil -1.4V 2hr
37	06:26:09	20241018-1558-B400_B.14-37	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_2 Group Dryfe_R cu foil -1.4V 1hr
35	06:01:15	20241018-1558-B400_B.14-35	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_1 Group Dryfe_R cu foil -1.4V 0hr
41	05:46:05	20241018-1438-B400_B.14-41	11	C13_CPD_Night256	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0013_2_13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
41	05:35:28	20241018-1438-B400_B.14-41	10	F19_CPD_Night	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0013_2_19F Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
34	05:27:09	20241018-0917-B400_B.14-34	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1363 Group Larrosa_I
33	05:17:32	20241018-0917-B400_B.14-33	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1362 Group Larrosa_I
32	05:09:24	20241018-0917-B400_B.14-32	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1361 Group Larrosa_I
31	05:00:24	20241018-0917-B400_B.14-31	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1360 Group Larrosa_I
23	04:32:16	20241017-1959-B400_B.14-23	12	P31_CPD_Night	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLVI-FP Group Leigh_D	sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0
7	03:45:20	20241017-1732-B400_B.14-7	10	F19_CPD_Night_1024	r64579jc	+	+	-	+	+	+	+	Ref p ox 3 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
53	03:28:22	20241017-1423-B400_B.14-53	11	C13_CPD_Night256	u36788yy	+	+	-	+	+	+	+	Ref 1.4n3aib2atbo Group Webb_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	03:09:31	20241017-1402-B400_B.14-52	15	H1_C13_HMBC_US_Night	q65960rs	-	+	-	-	-	+	+	Ref RJS772_FULL_DCM Group Willcox_D ptolylDPBNiCO
52	03:07:19	20241017-1402-B400_B.14-52	14	H1_Night	q65960rs	-	+	-	-	-	+	+	Ref RJS772_FULL_DCM Group Willcox_D ptolylDPBNiCO
52	02:40:37	20241017-1402-B400_B.14-52	13	P31_Wide_Night	q65960rs	-	+	-	-	-	+	+	Ref RJS772_FULL_DCM Group Willcox_D ptolylDPBNiCO	sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0
52	02:26:40	20241017-1402-B400_B.14-52	12	B11_CPD_Night	q65960rs	-	+	-	-	-	+	+	Ref RJS772_FULL_DCM Group Willcox_D ptolylDPBNiCO	sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q65960rs/nmr/20241017-1402-B400_B.14-52/12/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CD2Cl2' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q65960rs/nmr/20241017-1402-B400_B.14-52/12/pdata/1/peaks!
52	02:11:56	20241017-1402-B400_B.14-52	11	C13_CPD_Night256	q65960rs	-	+	-	-	-	+	+	Ref RJS772_FULL_DCM Group Willcox_D ptolylDPBNiCO	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
52	01:57:47	20241017-1402-B400_B.14-52	10	H1_Night128	q65960rs	+	+	-	+	+	+	+	Ref RJS772_FULL_DCM Group Willcox_D ptolylDPBNiCO
8	01:41:20	20241017-1215-B400_B.14-8	11	B11_CPD_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-5-1080-22-A Group Larrosa_I	sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/p15839kb/nmr/20241017-1215-B400_B.14-8/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/p15839kb/nmr/20241017-1215-B400_B.14-8/11/pdata/1/peaks!
55	01:24:21	20241016-1905-B400_B.14-55	11	C13_CPD_Night256	m43318ad	+	+	-	+	+	+	+	Ref AAD027B 13C Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
54	01:07:33	20241016-1904-B400_B.14-54	11	C13_CPD_Night256	m43318ad	+	+	-	+	+	+	+	Ref AD027A 13C Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
51	00:49:44	20241016-1847-B400_B.14-51	11	C13_CPD_Night256	b73025ag	+	+	-	+	+	+	+	Ref 23.1-DJP-AG Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	00:37:51	20241016-1021-B400_B.14-17	16	H1_COSY_HiRes_Night	n37729zl	-	+	-	-	-	+	+	Ref 241014-1a Group Greaney_M
17	00:14:00	20241016-1021-B400_B.14-17	15	H1_C13_HSQCed_Night	n37729zl	-	+	-	-	-	+	+	Ref 241014-1a Group Greaney_M	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
17	00:08:48	20241016-1021-B400_B.14-17	14	H1_Night	n37729zl	+	+	-	+	+	+	+	Ref 241014-1a Group Greaney_M
19	00:01:46	20241016-1605-B400_B.14-19	10	H1_ExtraWide_Night	q65960rs	+	+	-	+	+	+	+	Ref RJS836_ppt Group Willcox_D DPB_PhCoCO orange sus
10	23:44:52	20241016-1558-B400_B.14-10	11	C13_CPD_Night256	b28949om	+	+	-	+	+	+	+	Ref ojm-001a Group Goodwin_C	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
26	23:28:15	20241016-1434-B400_B.14-26	11	C13_CPD_Night256	e02956op	+	+	-	+	+	+	+	Ref GDB-OP-0016-13C Group DeBo_G	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
18	23:20:00	20241016-1318-B400_B.14-18	10	H1_Quant_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-6-1358 Group Larrosa_I
15	23:01:34	20241015-1620-B400_B.14-15	15	H1_C13_HMBC_US_Night	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-906 clean Group Procter_D
15	22:37:49	20241015-1620-B400_B.14-15	14	H1_C13_HSQCed_Night	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-906 clean Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
15	22:23:03	20241015-1620-B400_B.14-15	13	C13_CPD_Night256	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-906 clean Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
15	22:16:09	20241015-1620-B400_B.14-15	12	F19_CPD_Night	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-906 clean Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
15	22:13:19	20241015-1620-B400_B.14-15	11	F19_NoCPD_Day	d47555aa	-	+	-	-	-	+	+	Ref DJP-ASA-906 clean Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
15	22:09:02	20241015-1620-B400_B.14-15	10	H1_Night	d47555aa	+	+	-	+	+	+	+	Ref DJP-ASA-906 clean Group Procter_D
14	21:50:38	20241015-1618-B400_B.14-14	14	H1_C13_HMBC_US_Night	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-133-2b-fullchar Group Procter_D
14	21:26:53	20241015-1618-B400_B.14-14	13	H1_C13_HSQCed_Night	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-133-2b-fullchar Group Procter_D	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
14	21:15:00	20241015-1618-B400_B.14-14	12	H1_COSY_HiRes_Night	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-133-2b-fullchar Group Procter_D
14	21:00:15	20241015-1618-B400_B.14-14	11	C13_CPD_Night256	z40241jm	-	+	-	-	-	+	+	Ref DJP-JIM-5-133-2b-fullchar Group Procter_D	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
14	20:55:39	20241015-1618-B400_B.14-14	10	H1_Night	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-133-2b-fullchar Group Procter_D
3	20:27:07	20241015-1931-B400_B.14-3	12	P31_CPD_Night	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLXXXIII-MI-FP Group Leigh_D	sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0
46	20:17:46	20241015-1752-B400_B.14-46	10	H1_Quant_Night	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-2 4 hr Group Larrosa_I
45	19:30:51	20241015-1746-B400_B.14-45	10	F19_Quant_D35_Night	y80232jw	+	+	-	+	+	+	+	Ref JW-145-fluorine Group Leigh_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24	19:04:16	20241017-1959-B400_B.14-24	12	P31_CPD_Night	mbdxwjz5	-	+	-	-	-	+	+	Ref AT-CLXXXV-FP Group Leigh_D	sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0
24	18:50:17	20241017-1959-B400_B.14-24	11	F19_CPD_Night	mbdxwjz5	+	+	-	+	x	+	+	Ref AT-CLXXXV-FP Group Leigh_D	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed, sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
25	18:45:57	20241018-1839-B400_B.14-25	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln39-1 fracs 28-44 Group Larrosa_I
24	18:32:21	20241017-1959-B400_B.14-24	10	H1_Night128	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLXXXV-FP Group Leigh_D
23	18:25:15	20241017-1959-B400_B.14-23	11	F19_CPD_Night	mbdxwjz5	-	+	-	-	-	+	+	Ref AT-CLVI-FP Group Leigh_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23	18:11:27	20241017-1959-B400_B.14-23	10	H1_Night128	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLVI-FP Group Leigh_D
22	17:57:10	20241016-1701-B400_B.14-22	10	H1_Night128	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-716-prep Group DeBo_G
29	17:52:57	20241018-1739-B400_B.14-29	10	H1_Day	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-236 Group DeBo_G
27	17:48:41	20241018-1723-B400_B.14-27	10	H1_Day	c46714th	+	+	-	+	+	+	+	Ref TH-273-002-crude post workup Group James_M
25	17:43:43	20241018-1645-B400_B.14-25	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK044 t final in chloro Group Gibson_M JK044 t final in chloro
20	17:39:05	20241018-1636-B400_B.14-20	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H62f (DMSO-d6) Group Larrosa_I
16	17:34:18	20241018-1635-B400_B.14-16	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H62e (MeCN-d3) Group Larrosa_I
13	17:29:36	20241018-1635-B400_B.14-13	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H62d (MeOD-d4) Group Larrosa_I
12	17:24:34	20241018-1721-B400_B.14-12	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref MFG-AD-210 Group Greaney_M
11	17:22:11	20241018-1713-B400_B.14-11	12	F19_NoCPD_Day	z61799af	-	+	-	-	-	+	+	Ref IL-AF-AF3B Group Larrosa_I AF3B - complex from novel ligand B	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
11	17:17:15	20241018-1713-B400_B.14-11	10	H1_Day	z61799af	+	+	-	+	+	+	+	Ref IL-AF-AF3B Group Larrosa_I AF3B - complex from novel ligand B
9	17:14:44	20241018-1638-B400_B.14-9	12	P31_Wide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-18-p1 Group Trowbridge_A	sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CDCl3' SR is set to 0.0
9	17:12:56	20241018-1638-B400_B.14-9	11	F19_NoCPD_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-18-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
9	17:08:34	20241018-1638-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-18-p1 Group Trowbridge_A
6	17:04:27	20241015-1552-B400_B.14-6	13	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241016-3c Group Greaney_M
5	16:59:21	20241018-1514-B400_B.14-5	11	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bhsm deg Group Trowbridge_A
4	16:54:29	20241017-1457-B400_B.14-4	12	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-46d Group Trowbridge_A
2	16:49:09	20241018-1634-B400_B.14-2	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H62c (Acetone-d6) Group Larrosa_I
60	16:43:25	20241018-1633-B400_B.14-60	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H62b (D2O) Group Larrosa_I
58	16:39:44	20241018-1633-B400_B.14-58	10	H1_Quant_NS1_Day	s52134ad	+	+	-	+	+	+	+	Ref AJD H62a (CDCl3) Group Larrosa_I
57	16:34:59	20241018-1626-B400_B.14-57	10	F19_CPD_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-038 B product 19F CPD Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
56	16:29:54	20241018-1626-B400_B.14-56	10	F19_CPD_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-038 A product 19F CPD Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4	16:26:44	20241017-1457-B400_B.14-4	11	C13_CPD_Night256	b06681sg	-	-	-	-	-	-	-	Ref MG-SG03 Group GIbson M
12	16:21:59	20241018-1413-B400_B.14-12	10	H1_Day	q85514th	+	+	-	+	+	+	+	Ref TH003ECH-P Group Greaney_M
5	16:21:41	20241018-1514-B400_B.14-5	10	H1_Day	u60290dc	-	-	-	-	-	-	-	Ref DC-1D Group Trowbridge_A
2	16:18:42	20241018-1519-B400_B.14-2	11	P31_Extrawide_Day	c62220rg	-	+	-	-	-	+	+	Ref at-rg-3-12-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
2	16:13:59	20241018-1519-B400_B.14-2	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-12-p1 Group Trowbridge_A
60	16:11:59	20241018-1517-B400_B.14-60	11	F19_NoCPD_Day	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0018A-19F Group DeBo_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
60	16:07:21	20241018-1517-B400_B.14-60	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0018A Group DeBo_G
59	16:05:41	20241016-1214-B400_B.14-59	17	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 517 1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
59	16:03:38	20241016-1214-B400_B.14-59	16	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 517 1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1214-B400_B.14-59/16/pdata/1/peaks!, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1214-B400_B.14-59/16/pdata/1/peaks!
59	16:01:26	20241016-1214-B400_B.14-59	15	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 517 1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
59	15:57:21	20241016-1214-B400_B.14-59	14	F19_CPD_Day	r64579jc	+	+	-	+	+	+	+	Ref 517 1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
58	15:52:23	20241018-1510-B400_B.14-58	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-46a Group Trowbridge_A
57	15:47:36	20241018-1510-B400_B.14-57	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-46b Group Trowbridge_A
56	15:42:46	20241018-1510-B400_B.14-56	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-46c Group Trowbridge_A
50	15:38:42	20241018-1502-B400_B.14-49	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D6t40 Group Gibson_M
49	15:34:40	20241018-1502-B400_B.14-48	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C6t40 Group Gibson_M
47	15:30:34	20241018-1502-B400_B.14-47	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B6t40 Group Gibson_M
44	15:26:07	20241018-1505-B400_B.14-44	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
43	15:21:26	20241018-1448-B400_B.14-43	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-067 filtrate Group Riddell_I
42	15:16:13	20241018-1448-B400_B.14-42	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-066 filtrate Group Riddell_I
39	15:12:10	20241018-1500-B400_B.14-39	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A6t40 Group Gibson_M
38	15:08:07	20241018-1500-B400_B.14-38	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H5t40 Group Gibson_M
37	15:03:52	20241018-1500-B400_B.14-37	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G5t40 Group Gibson_M
35	14:59:12	20241018-1435-B400_B.14-35	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dt880c Group Webb_S
30	14:54:43	20241018-1434-B400_B.14-30	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dt880a Group Webb_S
29	14:50:01	20241018-1420-B400_B.14-29	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-110-2b Group Procter_D
28	14:45:39	20241016-1115-B400_B.14-28	11	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dt880b Group Webb_S
27	14:40:48	20241018-1419-B400_B.14-27	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-116-1a Group Procter_D
25	14:36:27	20241018-1405-B400_B.14-25	10	H1_Day	t26369fw	+	+	-	+	+	+	+	Ref MJJ-FW-004-001-CRUDE Group Other
21	14:34:15	20241016-1038-B400_B.14-21	12	H1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln33-3-3 4 hr Group Larrosa_I
21	14:30:02	20241016-1038-B400_B.14-21	11	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-3 4 hr Group Larrosa_I
20	14:27:13	20241018-1403-B400_B.14-20	11	F19_CPD_Day	c62220rg	-	+	-	-	-	+	+	Ref at-at-rg-318-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
20	14:18:01	20241018-1403-B400_B.14-20	10	H1_Day	c62220rg	+	+	-	+	x	+	+	Ref AT-RG-3-18-p1 Group Trowbridge_A	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
17	14:03:35	20241016-1021-B400_B.14-17	13	C13_CPD_Night256	n37729zl	-	+	-	-	-	+	+	Ref 241014-1a Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
17	13:52:10	20241016-1021-B400_B.14-17	12	C13_DEPT135_Night	n37729zl	+	+	-	+	+	+	+	Ref 241014-1b Group Greaney_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
1	13:47:18	20241018-1332-B400_B.14-1	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref JMG005CPB Group Crisenza_G
16	13:42:47	20241018-1317-B400_B.14-16	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL079-crude Group Procter_D
13	13:36:45	20241018-1313-B400_B.14-13	11	F19_CPD_Day	v67557bm	-	+	-	-	-	+	+	Ref BM520 Group Willcox_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
13	13:32:02	20241018-1313-B400_B.14-13	10	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM520 Group Willcox_D
12	13:25:48	20241018-1305-B400_B.14-12	11	H1_COSY_Day	n38871ln	-	+	-	-	-	+	+	Ref ln39-1 crm Group Larrosa_I
12	13:21:01	20241018-1305-B400_B.14-12	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln39-1 crm Group Larrosa_I
11	13:06:16	20241016-0954-B400_B.14-11	12	C13_CPD_Night256	b06681sg	-	+	-	-	-	+	+	Ref MG-SG 002 Group Gibson_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
11	13:01:04	20241016-0954-B400_B.14-11	13	F19_CPD_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG 002 Group Gibson_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
4	12:56:11	20241017-1457-B400_B.14-4	12	F19_CPD_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG03 Group GIbson M	sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'MeOD' SR is set to 0.0
47	12:52:58	20241018-1249-B400_B.14-47	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref Eu-NBO Group Liddle_S
44	12:48:24	20241018-1245-B400_B.14-44	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-426-crude Group Procter_D
43	12:43:03	20241018-1220-B400_B.14-43	10	F19_CPD_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-16b 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
42	12:37:59	20241018-1215-B400_B.14-42	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-067 crude Group Riddell_I
39	12:29:14	20241018-1123-B400_B.14-39	10	H1_COSY_Day	t91715jk	+	+	-	+	+	+	+	Ref JK005-9 wu in chloro Group Gibson_M JK005-9 wu in chloro
36	12:27:03	20241018-1139-B400_B.14-36	10	H1_Wide_Day	b06681sg	-	-	-	-	-	-	-	Ref SG04 MG Group Gibson_M
29	12:22:41	20241018-1106-B400_B.14-29	10	H1_Day	v43419jm	+	+	-	+	+	+	+	Ref JMG005CPB Group Crisenza_G
27	12:17:54	20241018-1141-B400_B.14-27	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ250_C Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
27	12:13:25	20241018-1141-B400_B.14-27	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ250_C Group Procter_D
25	12:08:35	20241018-1140-B400_B.14-25	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ250_B Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
25	12:03:49	20241018-1140-B400_B.14-25	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ250_B Group Procter_D
21	11:59:00	20241016-1038-B400_B.14-21	12	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ250_A Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
21	11:54:42	20241016-1038-B400_B.14-21	11	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ250_A Group Procter_D
20	11:49:50	20241018-1140-B400_B.14-20	11	F19_Quant_D1_8s_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ249 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
20	11:44:52	20241018-1140-B400_B.14-20	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ249 Group Procter_D
16	11:39:23	20241018-1119-B400_B.14-16	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-717-1P2 Group DeBo_G
13	11:34:12	20241018-1103-B400_B.14-13	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref R-LJM-01-066 filter residue Group Riddell_I
12	11:29:35	20241018-1102-B400_B.14-12	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR_LJM-01-066 Group Riddell_I
9	11:25:15	20241018-0938-B400_B.14-9	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F5t40 Group Gibson_M
5	11:21:07	20241018-0932-B400_B.14-5	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E5t40 Group Gibson_M
2	11:16:52	20241018-1033-B400_B.14-2	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D5t40 Group Gibson_M
1	11:12:09	20241018-1055-B400_B.14-1	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-16c Group Trowbridge_A
60	11:07:28	20241018-1055-B400_B.14-60	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-16b Group Trowbridge_A
58	11:03:09	20241017-1832-B400_B.14-58	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C5t40 Group Gibson_M
57	10:59:07	20241017-1832-B400_B.14-57	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B5t40 Group Gibson_M
56	10:54:43	20241017-1832-B400_B.14-56	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A5t40 Group Gibson_M
48	10:43:15	20241015-1757-B400_B.14-48	12	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-2 h20 1 day Group Larrosa_I
47	10:38:44	20241018-1016-B400_B.14-47	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref di boron ref Group Riddell_I
44	10:34:31	20241018-1016-B400_B.14-44	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref 3-methyl aniline ref Group Riddell_I
43	10:30:00	20241018-1015-B400_B.14-43	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref 2-methyl anline ref Group Riddell_I
42	10:23:43	20241018-1005-B400_B.14-42	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK005-9 in chloro Group Gibson_M JK005-9 in chloro
42	10:19:01	20241018-1005-B400_B.14-42	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK005-9 in chloro Group Gibson_M JK005-9 in chloro
27	10:12:42	20241018-1004-B400_B.14-27	11	H1_COSY_Day	n38871ln	-	+	-	-	-	+	+	Ref ln25-1 pure Group Larrosa_I
27	10:08:04	20241018-1004-B400_B.14-27	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln25-1 pure Group Larrosa_I
25	10:03:59	20241018-0943-B400_B.14-25	10	H1_Day	c46714th	+	+	-	+	+	+	+	Ref TH-273-001-crude Group James_M
20	09:59:44	20241018-0942-B400_B.14-20	10	H1_Day	c46714th	+	+	-	+	+	+	+	Ref TH-273-000 br SM Group James_M
16	09:54:10	20241018-0941-B400_B.14-16	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-17b Group Trowbridge_A
13	09:49:31	20241018-0941-B400_B.14-13	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-17a Group Trowbridge_A
9	09:44:40	20241018-0938-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-17c Group Trowbridge_A
6	09:40:30	20241015-1552-B400_B.14-6	13	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln30-1 acetone Group Larrosa_I
5	09:35:59	20241018-0932-B400_B.14-5	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-095 P3 F56-71 Group James_M
3	09:24:51	20241015-1931-B400_B.14-3	11	F19_CPD_Night	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLXXXIII-MI-FP Group Leigh_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
5	09:20:28	20241018-0907-B400_B.14-5	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065A Group Riddell_I
3	09:06:39	20241015-1931-B400_B.14-3	10	H1_Night128	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLXXXIII-MI-FP Group Leigh_D
1	09:01:16	20241017-1844-B400_B.14-1	11	F19_Quant_D1_8s_Day	w81612cw	-	+	-	-	-	+	+	Ref IL-CKW-PJ3-038 B column F23-29 19F Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
1	08:56:46	20241017-1844-B400_B.14-1	10	H1_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-038 B column F23-29 1H Group Mehta_M
58	08:52:16	20241017-1832-B400_B.14-58	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-739-c-1h-cdcl3 Group Crisenza_G
57	08:46:59	20241017-1832-B400_B.14-57	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-738-c-1h-cdcl3 Group Crisenza_G
44	22:51:23	20241015-1739-B400_B.14-44	10	H1_Quant_Night	n38871ln	x	-	-	-	-	-	-	Ref ln30-1 acetone Group Larrosa_I	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.44'.
43	22:51:15	20241015-1738-B400_B.14-43	10	H1_Quant_Night	n38871ln	x	-	-	-	-	-	-	Ref ln33-3-2 1hr Group Larrosa_I	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.43'.
42	22:50:59	20241015-1738-B400_B.14-42	10	H1_Quant_Night	n38871ln	-	-	-	-	-	-	-	Ref ln33-3-2 30 mins Group Larrosa_I
41	22:45:12	20241015-1726-B400_B.14-41	10	H1_Night	v67557bm	+	+	-	+	+	+	+	Ref BM521 Group Willcox_D
39	22:44:57	20241015-1711-B400_B.14-39	10	H1_Night	a74776dr	-	-	-	-	-	-	-	Ref DJP-DR-1-85 Group Procter_D
38	22:21:04	20241015-1707-B400_B.14-38	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_7 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_6hr
37	21:57:10	20241015-1707-B400_B.14-37	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_6 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_5hr
35	21:33:31	20241015-1705-B400_B.14-35	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_5 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_4hr
34	21:09:38	20241015-1705-B400_B.14-34	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_4 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_3hr
33	20:45:59	20241015-1705-B400_B.14-33	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_3 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_2hr
32	20:22:06	20241015-1705-B400_B.14-32	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_2 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_1hr
31	19:57:40	20241015-1705-B400_B.14-31	10	H1_Quant_d1_56s_Night	a60404ii	+	+	-	+	+	+	+	Ref rd_ii_1 Group Dryfe_R cu foil_-1,3V repeat 0.94cm2_0hr
30	19:42:45	20241015-1656-B400_B.14-30	11	C13_CPD_Night256	b64833pg	-	+	-	-	-	+	+	Ref MLT-PCG-007 IDTBT hexane fraction Group Turner_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
30	19:28:11	20241015-1656-B400_B.14-30	10	H1_Night128	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007 IDTBT hexane fraction Group Turner_M
2	19:01:48	20241015-1930-B400_B.14-2	12	P31_CPD_Night	mbdxwjz5	-	+	-	-	-	+	+	Ref AT-CLXXXIII-MA-FP Group Leigh_D	sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'Acetone' SR is set to 0.0
2	18:52:39	20241015-1930-B400_B.14-2	11	F19_CPD_Night	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLXXXIII-MA-FP Group Leigh_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
56	18:47:43	20241017-1832-B400_B.14-56	10	H1_Day	z65435tw	+	+	-	+	+	+	+	Ref tw-737-c-1h-cdcl3 Group Crisenza_G
2	18:33:38	20241015-1930-B400_B.14-2	10	H1_Night128	mbdxwjz5	+	+	-	+	+	+	+	Ref AT-CLXXXIII-MA-FP Group Leigh_D
1	18:19:17	20241017-1201-B400_B.14-1	11	H1_COSY_HiRes_Night	n37729zl	+	+	-	+	+	+	+	Ref 241014-1sm1 Group Greaney_M
5	18:14:44	20241017-1659-B400_B.14-5	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-425-crude Group Procter_D
4	18:10:32	20241017-1457-B400_B.14-4	10	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG03 Group GIbson M
60	18:04:10	20241017-1731-B400_B.14-60	11	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 515 mes Group Larrosa_I
60	17:52:14	20241017-1731-B400_B.14-60	10	H1_Quant_D1_25s_Day	r64579jc	+	+	-	+	+	+	+	Ref 515 mes Group Larrosa_I
59	17:40:23	20241016-1214-B400_B.14-59	14	H1_Quant_D1_25s_Day	r64579jc	+	+	-	+	+	+	+	Ref 515 o tol Group Larrosa_I
58	17:27:14	20241017-1510-B400_B.14-58	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-036 D Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
57	17:21:54	20241017-1117-B400_B.14-57	12	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-15a Group Trowbridge_A
56	17:17:08	20241017-1438-B400_B.14-56	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB059_tris Group Procter_D
53	17:12:35	20241017-1423-B400_B.14-53	10	H1_Day	u36788yy	+	+	-	+	+	+	+	Ref 1.4n3aib2atbo Group Webb_S
50	17:06:54	20241017-1337-B400_B.14-50	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	-	+	+	Ref IL-CKW-PJ3 F2RuBis in dioxane Group Mehta_M
47	17:02:09	20241017-1310-B400_B.14-47	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-115-1c Group Procter_D
36	16:59:53	20241017-1642-B400_B.14-36	10	H1_Day	b06681sg	-	-	-	-	-	-	-	Ref SG04 Group Gibson M
29	16:55:40	20241017-1624-B400_B.14-29	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-2 h20 Group Larrosa_I
28	16:53:14	20241016-1115-B400_B.14-28	17	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln30-1 solid Group Larrosa_I
28	16:49:54	20241016-1115-B400_B.14-28	16	H1_ExtraWide_Day	n38871ln	+	+	-	+	+	+	+	Ref ln30-1 solid Group Larrosa_I
27	16:45:30	20241017-1308-B400_B.14-27	10	H1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-115-1b Group Procter_D
25	16:40:52	20241017-1308-B400_B.14-25	10	H1_Quant_NS1_Day	z40241jm	+	+	-	+	+	+	+	Ref DJP-JIM-5-115-1a Group Procter_D
24	16:33:38	20241017-1510-B400_B.14-24	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-036 C Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	16:26:37	20241017-1510-B400_B.14-23	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-036 B Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
21	16:20:18	20241016-1038-B400_B.14-21	12	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-204-B2 Group Webb_S
21	16:16:09	20241016-1038-B400_B.14-21	11	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-204-B2 Group Webb_S
20	16:08:38	20241017-1509-B400_B.14-20	10	F19_Quant_D1_8s_Day	w81612cw	+	+	-	+	+	+	+	Ref IL-CKW-PJ3-036 A Group Mehta_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
9	16:04:49	20241017-1552-B400_B.14-9	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ248 Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
9	16:00:17	20241017-1552-B400_B.14-9	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ248 Group Procter_D
7	15:55:29	20241017-1552-B400_B.14-7	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ244_PC Group Procter_D
5	15:49:16	20241017-1539-B400_B.14-5	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control 12-12h Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	15:43:02	20241017-1532-B400_B.14-16	11	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-204-B1 Group Webb_S
16	15:38:18	20241017-1532-B400_B.14-16	10	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-204-B1 Group Webb_S
13	15:32:22	20241017-1504-B400_B.14-13	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control 15-12h Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
7	15:26:23	20241017-1503-B400_B.14-7	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control 13-12h Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	15:20:23	20241017-1504-B400_B.14-16	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control 16-12h Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	15:14:11	20241017-1503-B400_B.14-9	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control 14-12h Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
5	15:07:19	20241017-1502-B400_B.14-5	10	H1_WaterSupp_Day	p37420sd	+	+	-	+	+	+	+	Ref SD Ce-NH2-control 12-12h Group Schroder_M	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24	15:03:06	20241016-1738-B400_B.14-24	13	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H6t0 Group Gibson_M
23	14:59:00	20241016-1710-B400_B.14-23	13	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G6t0 Group Gibson_M
20	14:54:47	20241016-1650-B400_B.14-20	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F6t0 Group Gibson_M
16	14:50:34	20241016-1605-B400_B.14-16	13	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E6t0 Group Gibson_M
13	14:45:37	20241017-1225-B400_B.14-13	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-1b Group Trowbridge_A
9	14:41:28	20241017-1224-B400_B.14-9	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-3-1a Group Trowbridge_A
8	14:35:54	20241017-1215-B400_B.14-8	10	B11_CPD_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-5-1080-22-A Group Larrosa_I	sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/p15839kb/nmr/20241017-1215-B400_B.14-8/10/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'CDCl3' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Larrosa_I/data/p15839kb/nmr/20241017-1215-B400_B.14-8/10/pdata/1/peaks!
7	14:31:11	20241017-1146-B400_B.14-7	10	H1_Day	d53465xy	+	+	-	+	+	+	+	Ref XY299-4 Group DeBo_G 2nd pTLC, front band
5	14:27:01	20241017-1144-B400_B.14-5	11	F19_CPD_Day	e02956op	-	+	-	-	-	+	+	Ref gdb-op-0015-acet-19f Group DeBo_G	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
5	14:22:40	20241017-1144-B400_B.14-5	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref gdb-op-0015-acet Group DeBo_G
4	14:20:15	20241017-1143-B400_B.14-4	11	F19_CPD_Day	e02956op	-	+	-	-	-	+	+	Ref GDB-OP0016-19F Group DeBo_G	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
4	14:15:58	20241017-1143-B400_B.14-4	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP0016 Group DeBo_G
1	14:11:40	20241017-1201-B400_B.14-1	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241014-1sm1 Group Greaney_M
59	14:06:41	20241016-1214-B400_B.14-59	16	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241016-2c Group Greaney_M
58	14:01:50	20241017-1117-B400_B.14-58	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Salt of squaramide 1st solid 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
58	13:57:40	20241017-1117-B400_B.14-58	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Salt of squaramide 1st solid Group Larrosa_I
57	13:52:56	20241017-1117-B400_B.14-57	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Diamine urea 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
57	13:48:51	20241017-1117-B400_B.14-57	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Diamine urea Group Larrosa_I
56	13:42:00	20241017-1117-B400_B.14-56	11	F19_Quant_D1_8s_Day	u50028ip	-	+	-	-	-	+	+	Ref Diamine Sqauramide yellow 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
56	13:37:50	20241017-1117-B400_B.14-56	10	H1_Day	u50028ip	+	+	-	+	+	+	+	Ref Diamine Sqauramide yellow Group Larrosa_I
53	13:33:19	20241017-1159-B400_B.14-53	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241016-1c Group Greaney_M
52	13:30:11	20241017-1148-B400_B.14-52	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref EuN"3 Group Liddle_S
50	13:24:59	20241017-1133-B400_B.14-50	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-422-ac Group Procter_D
48	13:22:01	20241015-1757-B400_B.14-48	16	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 xanthester 2 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
48	13:19:58	20241015-1757-B400_B.14-48	15	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 xanthester 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241015-1757-B400_B.14-48/15/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241015-1757-B400_B.14-48/15/pdata/1/peaks!
48	13:17:49	20241015-1757-B400_B.14-48	14	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 xanthester 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
48	13:15:19	20241015-1757-B400_B.14-48	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 xanthester 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
48	13:09:52	20241015-1757-B400_B.14-48	12	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 513 xanthester 2 Group Larrosa_I
47	13:05:03	20241017-1114-B400_B.14-47	10	H1_Day	j45159ks	+	+	-	+	+	+	+	Ref p2_httmcol2run2_h Group Keerthi_A
40	13:03:00	20241015-1337-B400_B.14-40	14	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 phen 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241015-1337-B400_B.14-40/14/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241015-1337-B400_B.14-40/14/pdata/1/peaks!
40	13:00:49	20241015-1337-B400_B.14-40	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 phen 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
40	12:58:25	20241015-1337-B400_B.14-40	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 phen 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
40	12:53:18	20241015-1337-B400_B.14-40	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 513 phen 2 Group Larrosa_I
28	12:51:00	20241016-1115-B400_B.14-28	15	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pph3 2 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
28	12:49:21	20241016-1115-B400_B.14-28	14	F19_NoCPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pph3 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1115-B400_B.14-28/14/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1115-B400_B.14-28/14/pdata/1/peaks!
28	12:47:10	20241016-1115-B400_B.14-28	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pph3 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
28	12:44:33	20241016-1115-B400_B.14-28	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pph3 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
28	12:39:08	20241016-1115-B400_B.14-28	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 513 pph3 2 Group Larrosa_I
27	12:34:27	20241017-1111-B400_B.14-27	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL086-crude Group Procter_D
25	12:29:45	20241017-1111-B400_B.14-25	10	H1_Day	h31197yl	+	+	-	+	+	+	+	Ref DJP-YL085-crude Group Procter_D
24	12:24:27	20241016-1738-B400_B.14-24	12	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-165 Group Shaver_M
23	12:20:02	20241016-1710-B400_B.14-23	12	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-167-1h Group Shaver_M
21	12:16:40	20241016-1038-B400_B.14-21	15	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pcy3 2 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
21	12:14:23	20241016-1038-B400_B.14-21	14	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pcy3 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1038-B400_B.14-21/14/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1038-B400_B.14-21/14/pdata/1/peaks!
21	12:12:10	20241016-1038-B400_B.14-21	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pcy3 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21	12:08:57	20241016-1038-B400_B.14-21	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pcy3 2 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
21	12:03:31	20241016-1038-B400_B.14-21	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 513 pcy3 2 Group Larrosa_I
20	11:59:07	20241016-1650-B400_B.14-20	11	H1_Day	w77242eb	+	+	-	+	+	+	+	Ref EB-167-0.5h Group Shaver_M
16	11:54:49	20241016-1605-B400_B.14-16	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D6t0 Group Gibson_M
13	11:50:32	20241016-1603-B400_B.14-13	12	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C6t0 Group Gibson_M
12	11:48:19	20241016-1305-B400_B.14-12	14	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 514 p ox 2 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
12	11:46:02	20241016-1305-B400_B.14-12	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 514 p ox 2 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
12	11:39:43	20241016-1305-B400_B.14-12	12	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 514 p ox 2 Group Larrosa_I
12	11:35:17	20241016-1305-B400_B.14-12	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 514 p ox 2 Group Larrosa_I
9	11:32:13	20241017-1033-B400_B.14-9	10	H1_ExtraWide_Day	p93668sz	+	+	-	+	+	+	+	Ref Sm-NBO Group Liddle_S
8	11:28:10	20241016-1530-B400_B.14-8	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B6t0 Group Gibson_M
7	11:24:05	20241016-1530-B400_B.14-7	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A6t0 Group Gibson_M
6	11:22:02	20241015-1552-B400_B.14-6	14	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ247 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
6	11:17:24	20241015-1552-B400_B.14-6	13	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ247 Group Procter_D
5	11:13:22	20241016-1824-B400_B.14-5	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-H5t0 Group Gibson_M
4	11:04:19	20241016-1824-B400_B.14-4	11	H1_Day	t31251im	+	+	-	+	x	+	+	Ref MIG-IM-1-IM012-2-G5t0 Group Gibson_M	topshim: TopshimWaitForEvent - acquisition completed : timeout after 320 sec, Shim failed
1	11:01:52	20241014-1539-B400_B.14-1	11	H1_Day	n37729zl	-	+	-	-	-	+	+	Ref 241015-1c Group Greaney_M
1	10:57:20	20241014-1539-B400_B.14-1	10	H1_Day	y37570lc	+	+	-	+	+	+	+	Ref lc569-1 CD3CN H2O Group DeBo_G
58	10:53:12	20241017-0843-B400_B.14-58	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-C Group Riddell_I
57	10:49:08	20241017-0843-B400_B.14-57	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-B Group Riddell_I
56	10:44:48	20241017-0843-B400_B.14-56	10	H1_Day	m14269jw	+	+	-	+	+	+	+	Ref IR-JW-2067-A Group Riddell_I
55	10:40:28	20241016-1905-B400_B.14-55	10	H1_Day	m43318ad	+	+	-	+	+	+	+	Ref AAD027B Group Larrosa_I
54	10:36:20	20241016-1904-B400_B.14-54	10	H1_Day	m43318ad	+	+	-	+	+	+	+	Ref AD027A Group Larrosa_I
53	10:31:38	20241016-1848-B400_B.14-53	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 22.1-F2-DJP-AG Group Procter_D
52	10:25:56	20241016-1848-B400_B.14-52	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 22.1-F1-DJP-AG Group Procter_D
51	10:20:18	20241016-1847-B400_B.14-51	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 23.1-DJP-AG Group Procter_D
50	10:15:50	20241017-0942-B400_B.14-50	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-094 crude Group James_M
47	10:11:10	20241017-0941-B400_B.14-47	10	H1_Day	w52164bc	+	+	-	+	+	+	+	Ref BC-07-091 P1 F40-62 Group James_M
27	10:06:32	20241016-1742-B400_B.14-27	10	H1_Day	d53465xy	+	+	-	+	+	+	+	Ref XY299-4 Group DeBo_G 2nd pTLC, very front band removed
25	10:04:12	20241016-1739-B400_B.14-25	11	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 sm Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
25	10:00:04	20241016-1739-B400_B.14-25	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 513 sm Group Larrosa_I
24	09:53:49	20241016-1738-B400_B.14-24	11	H1_COSY_Day	r64579jc	-	+	-	-	-	+	+	Ref 514 q Group Larrosa_I
24	09:42:07	20241016-1738-B400_B.14-24	10	H1_Quant_D1_25s_Day	r64579jc	+	+	-	+	+	+	+	Ref 514 q Group Larrosa_I
23	09:39:49	20241016-1710-B400_B.14-23	11	F19_NoCPD_Day	a15978el	-	+	-	-	-	+	+	Ref EL-03-097 f22-41 Group James_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
23	09:35:20	20241016-1710-B400_B.14-23	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-097 f22-41 Group James_M
20	09:30:43	20241016-1650-B400_B.14-20	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtg ester Group Webb_S
16	09:28:05	20241016-1605-B400_B.14-16	11	P31_Extrawide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS840A Group Willcox_D after 3h at RT - red soln	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
16	09:24:58	20241016-1605-B400_B.14-16	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS840A Group Willcox_D after 3h at RT - red soln
13	09:21:51	20241016-1603-B400_B.14-13	11	P31_Extrawide_Day	q65960rs	-	+	-	-	-	+	+	Ref HK08_crude Group Willcox_D DPB_PhFeCO3 crude - 30 mg	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
13	09:18:33	20241016-1603-B400_B.14-13	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref HK08_crude Group Willcox_D DPB_PhFeCO3 crude - 30 mg
10	09:12:42	20241016-1558-B400_B.14-10	10	H1_Day	b28949om	+	+	-	+	+	+	+	Ref ojm-001a Group Goodwin_C
9	09:07:58	20241016-1601-B400_B.14-9	10	H1_Day	a17560mt	+	+	-	+	+	+	+	Ref REPW-MT002 Group Winpenny_R
8	09:02:20	20241016-1530-B400_B.14-8	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 21.2.6-DJP-AG Group Procter_D
7	08:57:18	20241016-1530-B400_B.14-7	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 21.2.5-DJP-AG Group Procter_D
6	08:57:05	20241015-1552-B400_B.14-6	11	Si29_DEPT90_Day	v97511sv	-	-	-	-	-	-	-	Ref SV-KN** Group Mills_D SV-KN**
6	08:52:23	20241015-1552-B400_B.14-6	10	H1_Day	v97511sv	+	+	-	+	+	+	+	Ref SV-KN** Group Mills_D SV-KN**
5	08:46:31	20241016-1824-B400_B.14-5	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 21.2.4-DJP-AG Group Procter_D
4	08:40:59	20241016-1824-B400_B.14-4	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 21.2.3-DJP-AG Group Procter_D
5	18:09:25	20241016-1527-B400_B.14-5	10	H1_Day	b73025ag	x	-	-	-	-	-	-	Ref 21.2.3-DJP-AG Group Procter_D	WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
4	18:04:22	20241016-1527-B400_B.14-4	10	H1_Day	b73025ag	x	-	-	-	-	-	-	Ref 21.2.3-DJP-AG Group Procter_D	WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
1	18:03:27	20241014-1539-B400_B.14-1	11	H1_Day	n37729zl	-	-	-	-	-	-	-	Ref 241015-1c Group Greaney_M
59	17:59:06	20241016-1214-B400_B.14-59	14	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241014-1sm1 Group Greaney_M
58	17:55:00	20241016-1419-B400_B.14-58	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F5t0 Group Gibson_M
57	17:50:56	20241016-1419-B400_B.14-57	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E5t0 Group Gibson_M
56	17:46:39	20241016-1419-B400_B.14-56	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-D5t0 Group Gibson_M
55	17:41:25	20241016-1527-B400_B.14-55	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 21.2.2-DJP-AG Group Procter_D
54	17:36:30	20241016-1526-B400_B.14-54	10	H1_Day	b73025ag	+	+	-	+	+	+	+	Ref 21.2.1-DJP-AG Group Procter_D
53	17:30:09	20241016-1427-B400_B.14-53	11	H1_COSY_Day	t91715jk	-	+	-	-	-	+	+	Ref JK005-9 step1 in chloro Group Gibson_M JK005-9 step1 in chloro
53	17:25:42	20241016-1427-B400_B.14-53	10	H1_Day	t91715jk	+	+	-	+	+	+	+	Ref JK005-9 step1 in chloro Group Gibson_M JK005-9 step1 in chloro
52	17:21:24	20241016-1419-B400_B.14-52	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-C5t0 Group Gibson_M
51	17:17:09	20241016-1419-B400_B.14-51	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-B5t0 Group Gibson_M
50	17:12:58	20241016-1419-B400_B.14-50	10	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-A5t0 Group Gibson_M
48	17:08:45	20241015-1757-B400_B.14-48	12	F19_CPD_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95n Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
47	17:04:10	20241016-1451-B400_B.14-47	10	H1_Day	g16660ml	+	+	-	+	+	+	+	Ref djp-muze Group Procter_D
40	16:58:42	20241015-1337-B400_B.14-40	11	F19_CPD_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95m Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
36	16:53:44	20241016-1437-B400_B.14-36	10	H1_Quant_NS1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-106cTmb Group James_M
29	16:51:37	20241016-1436-B400_B.14-29	11	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln38-1 filtrate Group Larrosa_I
29	16:48:32	20241016-1436-B400_B.14-29	10	H1_ExtraWide_Day	n38871ln	+	+	-	+	+	+	+	Ref ln38-1 filtrate Group Larrosa_I
28	16:43:45	20241016-1115-B400_B.14-28	11	F19_CPD_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95l Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
27	16:41:38	20241016-1435-B400_B.14-27	11	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln38-1 solid Group Larrosa_I
27	16:37:09	20241016-1435-B400_B.14-27	10	H1_ExtraWide_Day	n38871ln	+	+	-	+	+	+	+	Ref ln38-1 solid Group Larrosa_I
26	16:32:14	20241016-1434-B400_B.14-26	10	H1_Day	e02956op	+	+	-	+	+	+	+	Ref GDB-OP-0016 Group DeBo_G
25	16:27:19	20241016-1425-B400_B.14-25	10	H1_Day	d14195za	+	+	-	+	+	+	+	Ref za-173 Group Gardiner_J
24	16:18:30	20241016-1403-B400_B.14-24	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref zhb-a-95k Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
24	16:14:19	20241016-1403-B400_B.14-24	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95k Group Procter_D
23	16:11:48	20241016-1403-B400_B.14-23	11	F19_CPD_Day	p10102hz	-	+	-	-	-	+	+	Ref zhb-a-95j Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23	16:07:24	20241016-1403-B400_B.14-23	10	H1_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95j Group Procter_D
22	16:03:08	20241016-1343-B400_B.14-22	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-105e Group James_M
21	15:58:40	20241016-1038-B400_B.14-21	11	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ242_REC Group Procter_D
20	15:53:57	20241016-1326-B400_B.14-20	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ231_REC Group Procter_D
19	15:48:53	20241016-1318-B400_B.14-19	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-azi-crude-2 Group Larrosa_I
16	15:46:56	20241016-1334-B400_B.14-16	11	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241014-1sm1 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
16	15:42:36	20241016-1334-B400_B.14-16	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241014-1sm1 Group Greaney_M
13	15:37:14	20241016-1326-B400_B.14-13	11	F19_NoCPD_Day	mbdxrbj2	-	+	-	-	-	+	+	Ref BJ245 Group Procter_D	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
13	15:32:40	20241016-1326-B400_B.14-13	10	H1_Day	mbdxrbj2	+	+	-	+	+	+	+	Ref BJ245 Group Procter_D
12	15:32:21	20241016-1305-B400_B.14-12	10	H1_Day	t26369fw	-	-	-	-	-	-	-	Ref MJJ-FW-003-003-CRUDE Group Other
10	15:28:59	20241016-1258-B400_B.14-6	14	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 phen 1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
10	15:26:53	20241016-1258-B400_B.14-6	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 phen 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-6/13/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-6/13/pdata/1/peaks!
10	15:24:41	20241016-1258-B400_B.14-6	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 phen 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
10	15:21:27	20241016-1258-B400_B.14-6	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 phen 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
10	15:16:09	20241016-1258-B400_B.14-6	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 512 phen 1 Group Larrosa_I
9	15:11:40	20241016-1229-B400_B.14-9	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-160 Group James_M
8	15:07:10	20241016-1229-B400_B.14-8	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-120 Group James_M
7	15:02:35	20241016-1229-B400_B.14-7	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-80 Group James_M
6	14:58:20	20241015-1552-B400_B.14-6	12	H1_Day	e04286tn	+	+	-	+	+	+	+	Ref GDB-TNG-III-381 Group DeBo_G
5	14:55:45	20241016-1258-B400_B.14-5	14	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pph3 1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-5/14/pdata/1/peaks!, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-5/14/pdata/1/peaks!
5	14:53:40	20241016-1258-B400_B.14-5	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pph3 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-5/13/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-5/13/pdata/1/peaks!
5	14:51:29	20241016-1258-B400_B.14-5	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pph3 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
5	14:48:56	20241016-1258-B400_B.14-5	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pph3 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-5/11/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-5/11/pdata/1/peaks!
5	14:44:10	20241016-1258-B400_B.14-5	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 512 pph3 1 Group Larrosa_I
4	14:41:21	20241016-1258-B400_B.14-4	14	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 xanth ether 1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
4	14:39:15	20241016-1258-B400_B.14-4	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 xanth ether 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-4/13/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241016-1258-B400_B.14-4/13/pdata/1/peaks!
4	14:37:05	20241016-1258-B400_B.14-4	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 xanth ether 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4	14:34:32	20241016-1258-B400_B.14-4	11	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 xanth ether 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
4	14:29:52	20241016-1258-B400_B.14-4	10	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 512 xanth ether 1 Group Larrosa_I
1	14:27:50	20241014-1539-B400_B.14-1	15	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pcy3 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241014-1539-B400_B.14-1/15/pdata/1/peaks!, sref: reference peak outside file limits default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Larrosa_I/data/r64579jc/nmr/20241014-1539-B400_B.14-1/15/pdata/1/peaks!
1	14:25:04	20241014-1539-B400_B.14-1	14	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pcy3 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
1	14:21:18	20241014-1539-B400_B.14-1	13	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pcy3 1 Group Larrosa_I	sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0, sref: NUCLEUS '31P' not defined for SOLVENT 'CD3CN' SR is set to 0.0
1	14:17:36	20241014-1539-B400_B.14-1	12	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 512 pcy3 1 Group Larrosa_I	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
1	14:12:30	20241014-1539-B400_B.14-1	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 512 pcy3 1 Group Larrosa_I
60	14:07:35	20241016-1251-B400_B.14-60	10	H1_Day	z69889rb	+	+	-	+	+	+	+	Ref RB175R2 Group Crisenza_G
59	14:07:21	20241016-1214-B400_B.14-59	12	Si29_DEPT90_Day	mbgnrjs3	-	-	-	-	-	-	-	Ref STL-JS/MD - BIPMTMSY(I)(THF)2 check of material Group Liddle_S
59	14:04:23	20241016-1214-B400_B.14-59	11	P31_Extrawide_Day	mbgnrjs3	-	+	-	-	-	+	+	Ref STL-JS/MD - BIPMTMSY(I)(THF)2 check of material Group Liddle_S	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
59	14:01:02	20241016-1214-B400_B.14-59	10	H1_ExtraWide_Day	mbgnrjs3	+	+	-	+	+	+	+	Ref STL-JS/MD - BIPMTMSY(I)(THF)2 check of material Group Liddle_S
58	13:56:59	20241016-1206-B400_B.14-58	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC121.3a Group Shaver_M
57	13:52:57	20241016-1206-B400_B.14-57	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC121.2a Group Shaver_M
56	13:48:34	20241016-1206-B400_B.14-56	10	H1_Day	j03696rc	+	+	-	+	+	+	+	Ref RC121.1a Group Shaver_M
55	13:44:13	20241016-1205-B400_B.14-55	10	H1_Day	w57618gb	+	+	-	+	+	+	+	Ref DJP-GB054_A Group Procter_D
54	13:39:34	20241016-1203-B400_B.14-54	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 007 (crude) Group Webb_S
53	13:37:24	20241016-1139-B400_B.14-53	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 62iv 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
53	13:32:42	20241016-1139-B400_B.14-53	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 62iv Group Greaney_M
52	13:30:26	20241016-1139-B400_B.14-52	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 62iii 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
52	13:25:56	20241016-1139-B400_B.14-52	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 62iii Group Greaney_M
51	13:23:29	20241016-1139-B400_B.14-51	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 62ii 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
51	13:19:13	20241016-1139-B400_B.14-51	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 62ii Group Greaney_M
50	13:16:15	20241016-1139-B400_B.14-50	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref 62i 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
50	13:11:44	20241016-1139-B400_B.14-50	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref 62i Group Greaney_M
48	13:09:22	20241015-1757-B400_B.14-48	14	P31_Wide_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pox 2 1 Group Larrosa_I	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
48	13:06:21	20241015-1757-B400_B.14-48	13	F19_CPD_Day	r64579jc	-	+	-	-	-	+	+	Ref 513 pox 2 1 Group Larrosa_I	sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'C6D6' SR is set to 0.0
48	13:01:45	20241015-1757-B400_B.14-48	12	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 513 pox 2 1 Group Larrosa_I
47	12:59:08	20241016-1139-B400_B.14-47	11	F19_CPD_Day	m09677nb	-	+	-	-	-	+	+	Ref zincke last Group Greaney_M	sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0, sref: NUCLEUS '19F' not defined for SOLVENT 'CDCl3' SR is set to 0.0
47	12:53:37	20241016-1139-B400_B.14-47	10	H1_Day	m09677nb	+	+	-	+	+	+	+	Ref zincke last Group Greaney_M
40	12:47:21	20241015-1337-B400_B.14-40	12	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-205-1 Group Webb_S
40	12:42:47	20241015-1337-B400_B.14-40	11	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-205-1 Group Webb_S
36	12:38:36	20241016-1133-B400_B.14-36	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-003 f69-88 Group James_M
30	12:34:21	20241015-1656-B400_B.14-30	12	H1_Day	b64833pg	+	+	-	+	+	+	+	Ref MLT-PCG-007 IDTBT hexane fraction Group Turner_M
29	12:29:58	20241016-1133-B400_B.14-29	10	H1_Day	a15978el	+	+	-	+	+	+	+	Ref EL-03-095 f30-66 Group James_M dried
28	12:29:42	20241016-1115-B400_B.14-28	10	H1_Day	p12053vc	-	-	-	-	-	-	-	Ref VC1626_II_34-48 Group Procter_D
27	12:25:00	20241016-1109-B400_B.14-27	10	H1_Day	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-245-2 Group DeBo_G
26	12:20:24	20241016-1108-B400_B.14-26	10	H1_Day	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-245-1 Group DeBo_G
25	12:15:40	20241016-1108-B400_B.14-25	10	H1_Day	y52364mw	+	+	-	+	+	+	+	Ref GDB-MJ-295 Group DeBo_G
24	12:11:17	20241016-1050-B400_B.14-24	10	H1_Quant_NS1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-2 4hr Group Larrosa_I
23	12:06:47	20241016-1047-B400_B.14-23	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-gl;ycol sub crude Group DeBo_G
22	12:01:55	20241016-1047-B400_B.14-22	10	H1_Day	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-716-1crude Group DeBo_G
21	12:01:02	20241016-1038-B400_B.14-21	10	Si29_DEPT90_Day	v97511sv	-	-	-	-	-	-	-	Ref SV-KN**2 Group Mills_D SV-KN**2
20	11:56:18	20241016-1030-B400_B.14-20	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-30 Group James_M
19	11:51:13	20241016-1030-B400_B.14-19	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-20 Group James_M
18	11:46:30	20241016-1030-B400_B.14-18	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-296-10 Group James_M
17	11:44:37	20241016-1021-B400_B.14-17	11	F19_NoCPD_Day	n37729zl	-	+	-	-	-	+	+	Ref 241014-1b 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	11:39:28	20241016-1021-B400_B.14-17	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241014-1b Group Greaney_M
16	11:35:12	20241016-1021-B400_B.14-16	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241014-1a Group Greaney_M
13	11:30:56	20241016-1021-B400_B.14-13	10	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241015-4c Group Greaney_M
12	11:26:24	20241016-1017-B400_B.14-12	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 007 (crude) Group Webb_S
11	11:21:19	20241016-0954-B400_B.14-11	13	H1_Day	b06681sg	+	+	-	+	+	+	+	Ref MG-SG 002 Group Gibson_M
10	11:16:12	20241016-1016-B400_B.14-10	12	F19_CPD_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS384A Group Willcox_D crude (Ph_DPB_CF3)FeCO3 from benzene - 37mg	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
10	11:13:23	20241016-1016-B400_B.14-10	11	P31_Extrawide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS384A Group Willcox_D crude (Ph_DPB_CF3)FeCO3 from benzene - 37mg	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
10	11:09:38	20241016-1016-B400_B.14-10	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS384A Group Willcox_D crude (Ph_DPB_CF3)FeCO3 from benzene - 37mg
9	11:06:29	20241016-1016-B400_B.14-9	11	P31_Extrawide_Day	q65960rs	-	+	-	-	-	+	+	Ref RJS833A Group Willcox_D crude DPBCoCO, reductive carbonylation	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
9	11:02:07	20241016-1016-B400_B.14-9	10	H1_ExtraWide_Day	q65960rs	+	+	-	+	+	+	+	Ref RJS833A Group Willcox_D crude DPBCoCO, reductive carbonylation
8	10:59:40	20241016-1014-B400_B.14-8	12	P31_Wide_Day	q50682hk	-	+	-	-	-	+	+	Ref hk08_cru Group Willcox_D hk01 w bcf cr product after 20hr	sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20241016-1014-B400_B.14-8/12/pdata/1/peaks!, sref: reference peak not found default calibration done; pp: Cannot find any peak for scaling in /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20241016-1014-B400_B.14-8/12/pdata/1/peaks!
8	10:55:54	20241016-1014-B400_B.14-8	11	B11_CPD_Day	q50682hk	-	+	-	-	-	+	+	Ref hk08_cru Group Willcox_D hk01 w bcf cr product after 20hr	sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20241016-1014-B400_B.14-8/11/pdata/1/peaks!, sref: NUCLEUS '11B' not defined for SOLVENT 'C6D6' SR is set to 0.0; pp: Cannot find the scaling regions file! It cannot be used for peak assignment for scaling of /mnt/nmrdata/Willcox_D/data/q50682hk/nmr/20241016-1014-B400_B.14-8/11/pdata/1/peaks!
8	10:51:40	20241016-1014-B400_B.14-8	10	H1_Day	q50682hk	+	+	-	+	+	+	+	Ref hk08_cru Group Willcox_D hk01 w bcf cr product after 20hr
7	10:47:27	20241016-1010-B400_B.14-7	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref ss3 aceto Group Trowbridge_A
6	10:43:05	20241015-1552-B400_B.14-6	12	H1_Day	n37729zl	+	+	-	+	+	+	+	Ref 241015-3c Group Greaney_M
5	10:38:40	20241016-1010-B400_B.14-5	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref ss3 chloro Group Trowbridge_A
4	10:34:05	20241016-1010-B400_B.14-4	10	H1_Day	j40457bh	+	+	-	+	+	+	+	Ref bh2-3-43 Group Trowbridge_A
1	10:31:59	20241014-1539-B400_B.14-1	12	H1_Day	n37729zl	-	+	-	-	-	+	+	Ref 241014-4c Group Greaney_M
1	10:23:07	20241014-1539-B400_B.14-1	11	H1_COSY_Day	r64579jc	+	+	-	+	+	+	+	Ref 509 prod 2 Group Larrosa_I
60	10:18:17	20241016-0942-B400_B.14-60	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln37-1 Group Larrosa_I
59	10:14:10	20241016-0940-B400_B.14-59	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln30-1 acetone Group Larrosa_I
58	10:12:03	20241016-0940-B400_B.14-58	11	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln33-3-2 1 hr Group Larrosa_I
58	10:07:59	20241016-0940-B400_B.14-58	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-2 1 hr Group Larrosa_I
57	10:05:51	20241016-0939-B400_B.14-57	11	H1_Quant_NS1_Day	n38871ln	-	+	-	-	-	+	+	Ref ln33-3-2 30 mins Group Larrosa_I
57	10:01:09	20241016-0939-B400_B.14-57	10	H1_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-2 30 mins Group Larrosa_I
56	09:56:20	20241015-2117-B400_B.14-56	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b F1 F2 Group Webb_S
55	09:51:33	20241015-2117-B400_B.14-55	10	H1_Day	m30316hz	+	+	-	+	+	+	+	Ref HZ-250b F1 Group Webb_S
54	09:47:08	20241015-1850-B400_B.14-54	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtnhac3 Group Webb_S
53	09:42:45	20241015-1850-B400_B.14-53	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtnhac2 Group Webb_S
52	09:38:06	20241015-1850-B400_B.14-52	10	H1_Day	b32507dt	+	+	-	+	+	+	+	Ref dtnhac1 Group Webb_S
51	09:33:48	20241015-1806-B400_B.14-51	11	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM519 Group Willcox_D
50	09:29:24	20241015-1806-B400_B.14-50	11	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM518 Group Willcox_D paler - labelled as 519 by accident
48	09:29:11	20241015-1757-B400_B.14-48	11	Si29_DEPT90_Day	b50715cd	-	-	-	-	-	-	-	Ref CD107 Group Goodwin_C CD107 - C6D6 - crude - Si DEPT90
48	09:24:50	20241015-1757-B400_B.14-48	10	H1_Day	b50715cd	+	+	-	+	+	+	+	Ref CD107 Group Goodwin_C CD107 - C6D6 - crude - 1H
41	09:20:29	20241015-1726-B400_B.14-41	11	H1_Day	v67557bm	+	+	-	+	+	+	+	Ref BM521 Group Willcox_D
40	09:14:12	20241015-1337-B400_B.14-40	12	H1_COSY_Day	z13985iz	-	+	-	-	-	+	+	Ref SJW IZ-204-3 Group Webb_S
40	09:07:34	20241015-1337-B400_B.14-40	11	H1_Day	z13985iz	+	+	-	+	+	+	+	Ref SJW IZ-204-3 Group Webb_S
15	22:06:58	20241015-1620-B400_B.14-15	10	H1_Night	d47555aa	x	-	-	-	-	-	-	Ref DJP-ASA-906 clean Group Procter_D	WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
11	22:01:56	20241015-1619-B400_B.14-11	10	H1_Night128	d47555aa	x	-	-	-	-	-	-	Ref DJP-ASA-911 crude Group Procter_D	WebService Error: Changer has been busy for the past 5 minutes. Cannot transfer the sample.
14	22:00:59	20241015-1618-B400_B.14-14	10	H1_Night	z40241jm	-	-	-	-	-	-	-	Ref DJP-JIM-5-133-2b-fullchar Group Procter_D
10	21:56:40	20241015-1600-B400_B.14-10	11	H1_Night	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-417-ac Group Procter_D
4	21:42:17	20241015-1542-B400_B.14-4	10	H1_Night128	x25009jo	+	+	-	+	+	+	+	Ref GDB-JO-715-1h mixture Group DeBo_G
29	21:37:36	20241015-1539-B400_B.14-29	10	H1_Day	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-065 R6 Group Riddell_I
28	21:25:16	20241015-1536-B400_B.14-28	13	H1_C13_HSQC_US_Night	x73847lm	-	+	-	-	-	+	+	Ref IR-LJM-01-063J Group Riddell_I
28	21:06:46	20241015-1536-B400_B.14-28	12	H1_C13_HMBC_US_Night	x73847lm	-	+	-	-	-	+	+	Ref IR-LJM-01-063J Group Riddell_I
28	21:04:34	20241015-1536-B400_B.14-28	11	H1_Night	x73847lm	-	+	-	-	-	+	+	Ref IR-LJM-01-063J Group Riddell_I
28	20:50:29	20241015-1536-B400_B.14-28	10	H1_COSY_HiRes_Night	x73847lm	+	+	-	+	+	+	+	Ref IR-LJM-01-063J Group Riddell_I
36	20:26:43	20241015-1347-B400_B.14-36	14	H1_C13_HSQCed_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-azi-P Group Larrosa_I	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
36	20:08:14	20241015-1347-B400_B.14-36	13	H1_C13_HMBC_US_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-azi-P Group Larrosa_I
36	20:06:02	20241015-1347-B400_B.14-36	12	H1_Night	p15839kb	-	+	-	-	-	+	+	Ref KB-azi-P Group Larrosa_I
36	19:50:37	20241015-1347-B400_B.14-36	11	H1_COSY_HiRes_Night	p15839kb	+	+	-	+	+	+	+	Ref KB-azi-P Group Larrosa_I
60	19:39:37	20241015-0944-B400_B.14-60	11	C13_DEPT135_Night	m66419al	+	+	-	+	+	+	+	Ref WS_AL2 Group Other	sref: reference peak not found default calibration done, sref: reference peak not found default calibration done
24	19:15:52	20241015-0936-B400_B.14-24	14	H1_C13_HSQCed_Night	m66419al	-	+	-	-	-	+	+	Ref WS_AL_1 Group Other	mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD, mdd: Warning: 2D data set requires R-MDD processing processing continues with parameter MddCEXP{F1} R-MDD
24	19:13:29	20241015-0936-B400_B.14-24	13	H1_Night	m66419al	-	+	-	-	-	+	+	Ref WS_AL_1 Group Other
24	19:01:34	20241015-0936-B400_B.14-24	12	H1_COSY_HiRes_Night	m66419al	-	+	-	-	-	+	+	Ref WS_AL_1 Group Other
24	18:50:06	20241015-0936-B400_B.14-24	11	C13_DEPT135_Night	m66419al	+	+	-	+	+	+	+	Ref WS_AL_1 Group Other	sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Other/data/m66419al/nmr/20241015-0936-B400_B.14-24/11/pdata/1/peaks No peak is found in the specified ranges!, sref: reference peak not found default calibration done; pp: Unable to assign a peak for scaling of /mnt/nmrdata/Other/data/m66419al/nmr/20241015-0936-B400_B.14-24/11/pdata/1/peaks No peak is found in the specified ranges!
27	18:44:11	20241015-1329-B400_B.14-27	10	H1_Day	z16689fe	+	+	-	+	+	+	+	Ref MFG FE 008 (crude with mesitylene) Group Webb_S
26	18:40:05	20241015-1635-B400_B.14-26	10	F19_CPD_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95a Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
25	18:33:53	20241015-1720-B400_B.14-25	10	F19_CPD_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95f Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
23	18:29:50	20241015-1236-B400_B.14-23	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-G3t40 Group Gibson_M
22	18:25:39	20241015-1236-B400_B.14-22	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-F3t40 Group Gibson_M
21	18:21:20	20241015-1236-B400_B.14-21	11	H1_Day	t31251im	+	+	-	+	+	+	+	Ref MIG-IM-1-IM012-2-E3t40 Group Gibson_M
20	18:21:04	20241015-1158-B400_B.14-20	12	H1_Day	u60290dc	x	-	-	-	-	-	-	Ref DC-1B-C17 Group Trowbridge_A	WebService Error: 103.310.145:Sample Missing Error:No sample found with Position or Tube ID '1.20'.
19	18:15:38	20241015-1721-B400_B.14-19	10	F19_CPD_Day	p10102hz	+	+	-	+	+	+	+	Ref zhb-a-95b Group Procter_D	sref: reference peak outside file limits default calibration done, sref: reference peak outside file limits default calibration done
18	18:10:33	20241015-1632-B400_B.14-18	10	H1_Day	c62220rg	+	+	-	+	+	+	+	Ref at-rg-368a Group Trowbridge_A
17	18:05:49	20241015-1623-B400_B.14-17	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-293-90 Group James_M
16	18:01:17	20241015-1623-B400_B.14-16	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-293-60 Group James_M
13	17:56:36	20241015-1615-B400_B.14-13	10	H1_Day	mbds07706tl	+	+	-	+	+	+	+	Ref MG-TYL022 Group Other MG-TYL022
12	17:51:52	20241015-1614-B400_B.14-12	10	H1_Day	mbds07706tl	+	+	-	+	+	+	+	Ref MG-TYL021 Group Other MG-TYL021
10	17:47:23	20241015-1600-B400_B.14-10	10	H1_Day	h68355ac	+	+	-	+	+	+	+	Ref djp-oc-417-ac Group Procter_D
9	17:41:06	20241015-1558-B400_B.14-9	11	H1_COSY_Day	p00481wi	-	+	-	-	-	+	+	Ref GDB-WI820-workup Group DeBo_G
9	17:36:47	20241015-1558-B400_B.14-9	10	H1_Day	p00481wi	+	+	-	+	+	+	+	Ref GDB-WI820-workup Group DeBo_G
8	17:31:51	20241015-1554-B400_B.14-8	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-056B Group Trowbridge_A
7	17:26:48	20241015-1554-B400_B.14-7	10	H1_Day	b26045ab	+	+	-	+	+	+	+	Ref AT-ABO-02-056A Group Trowbridge_A
6	17:26:34	20241015-1552-B400_B.14-6	11	Si29_DEPT90_Day	v97511sv	-	-	-	-	-	-	-	Ref SV-KN** Group Mills_D SV-KN**
6	17:22:24	20241015-1552-B400_B.14-6	10	H1_Day	v97511sv	+	+	-	+	+	+	+	Ref SV-KN** Group Mills_D SV-KN**
5	17:18:18	20241015-1546-B400_B.14-5	10	H1_Day	c46714th	+	+	-	+	+	+	+	Ref TH-270-002-rm 175C 3h Group James_M
3	17:06:50	20241015-1536-B400_B.14-3	10	H1_Quant_D1_25s_Day	n38871ln	+	+	-	+	+	+	+	Ref ln33-3-2 2 h Group Larrosa_I
2	17:02:04	20241014-1719-B400_B.14-2	12	H1_Day	u60290dc	+	+	-	+	+	+	+	Ref DC-2A Group Trowbridge_A
1	16:57:35	20241014-1539-B400_B.14-1	11	H1_Day	r64579jc	+	+	-	+	+	+	+	Ref 509 p2 Group Larrosa_I
59	16:53:20	20241015-1531-B400_B.14-59	10	H1_Day	z86427mk	+	+	-	+	+	+	+	Ref MK-047-B1 Group Procter_D
58	16:48:30	20241015-1525-B400_B.14-58	10	H1_Day	p15839kb	+	+	-	+	+	+	+	Ref KB-2-BPin-Nap Group Larrosa_I
57	16:43:52	20241015-1523-B400_B.14-57	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-293-30 Group James_M
56	16:39:12	20241015-1523-B400_B.14-56	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-293-20 Group James_M
55	16:34:16	20241015-1523-B400_B.14-55	10	H1_Quant_NS1_Day	g23544jd	+	+	-	+	+	+	+	Ref MJJ-JDL-02-293-10 Group James_M