#METABOLOMICS WORKBENCH mbcolonna_20200812_100701 DATATRACK_ID:2116 STUDY_ID:ST001476 ANALYSIS_ID:AN002452 PROJECT_ID:PR001000
VERSION             	1
CREATED_ON             	August 31, 2020, 6:12 pm
#PROJECT
PR:PROJECT_TITLE                 	Predicting T Cell Quality During Manufacturing Through an AI-based Integrative
PR:PROJECT_TITLE                 	Multi-omics Analytical Platform
PR:PROJECT_SUMMARY               	Large-scale, reproducible manufacturing of therapeutic cells with consistent
PR:PROJECT_SUMMARY               	high quality is vital for translation to clinically effective and widely
PR:PROJECT_SUMMARY               	accessible cell-therapies for patients. However, the biological and logistical
PR:PROJECT_SUMMARY               	complexity of manufacturing a living product, including challenges associated
PR:PROJECT_SUMMARY               	with their inherent variability as well as uncertainties of process parameters,
PR:PROJECT_SUMMARY               	currently make it difficult to achieve predictable cell-product quality. Using a
PR:PROJECT_SUMMARY               	degradable microscaffold-based T cell manufacturing process as an example, we
PR:PROJECT_SUMMARY               	developed an Artificial Intelligence (AI)-driven experimental-computational
PR:PROJECT_SUMMARY               	platform to identify a multivariate set of critical process parameters (CPPs)
PR:PROJECT_SUMMARY               	and critical quality attributes (CQAs) from heterogeneous, high dimensional,
PR:PROJECT_SUMMARY               	time-dependent multi-omics data, measurable during early stages of manufacturing
PR:PROJECT_SUMMARY               	and that are predictive of end-of-manufacturing product quality. Sequential,
PR:PROJECT_SUMMARY               	Design-of-Experiment (DOE)-based studies, coupled with a set of agnostic
PR:PROJECT_SUMMARY               	machine-learning framework, was used to extract multiple feature combinations
PR:PROJECT_SUMMARY               	from Day 4 to 6 media assessment, that were highly predictive (R2>90%) of the
PR:PROJECT_SUMMARY               	end-product phenotypes, specifically the total live CD4+ and CD8+ naïve and
PR:PROJECT_SUMMARY               	central memory T cells (CD63L+CCR7+ cells), and the CD4+/CD8+ T cell ratio. This
PR:PROJECT_SUMMARY               	generalizable workflow and computational platform could be broadly applied to
PR:PROJECT_SUMMARY               	any cell-therapy manufacturing process to identify multivariate early CQAs and
PR:PROJECT_SUMMARY               	CPPs that are predictable of final product quality.
PR:INSTITUTE                     	Georgia Institute of Technology;University of Puerto Rico Mayaguez
PR:LAST_NAME                     	Colonna
PR:FIRST_NAME                    	Maxwell
PR:ADDRESS                       	315 Riverbend Rd, Athens, Georgia, 30602, USA
PR:EMAIL                         	maxwellbaca@uga.edu
PR:PHONE                         	7065420257
PR:FUNDING_SOURCE                	NSF EEC-1648035
PR:PUBLICATIONS                  	Predicting T Cell Quality During Manufacturing Through an AI-based Integrative
PR:PUBLICATIONS                  	Multi-omics Analytical Platform
PR:CONTRIBUTORS                  	Valerie Odeh-Couvertier, Nathan J. Dwarshuis, Maxwell B. Colonna, Bruce L.
PR:CONTRIBUTORS                  	Levine, Arthur S. Edison, Theresa Kotanchek, Krishnendu Roy, and Wandaliz
PR:CONTRIBUTORS                  	Torres-Garcia
#STUDY
ST:STUDY_TITLE                   	Design of Experiments for Maximizing T cell endpoints
ST:STUDY_SUMMARY                 	Purified T cells from a single healthy donor were expanded in vitro with either
ST:STUDY_SUMMARY                 	magnetic beads or degradable micro-scaffold (DMS) particles. Magnetic bead
ST:STUDY_SUMMARY                 	cultures were expanded according to manufacturer’s instructions, while DMS
ST:STUDY_SUMMARY                 	cultures were expanded with varying DMS particle concentration, IL2
ST:STUDY_SUMMARY                 	concentration, and antigen surface density on the particles, according to a
ST:STUDY_SUMMARY                 	design of experiments. Media of each culture of was sampled repeatedly over the
ST:STUDY_SUMMARY                 	course of a 14 day period. Quantities and characteristics of activated T cells
ST:STUDY_SUMMARY                 	were assessed at the end of the culture period, and media was analyzed by
ST:STUDY_SUMMARY                 	1H-NMR. Analysis of spectra resulted in a set of 20 features that was used in
ST:STUDY_SUMMARY                 	predictive modeling of T cell endpoints, along with culture parameters described
ST:STUDY_SUMMARY                 	above and cytokine data. A second validation experiment was performed with
ST:STUDY_SUMMARY                 	different values for culture parameters, using the same culture, sampling, and
ST:STUDY_SUMMARY                 	NMR analysis methods.
ST:INSTITUTE                     	Georgia Institute of Technology
ST:DEPARTMENT                    	Complex Carbohydrate Research Center
ST:LABORATORY                    	Edison
ST:LAST_NAME                     	Colonna
ST:FIRST_NAME                    	Max
ST:ADDRESS                       	315 Riverbend Rd
ST:EMAIL                         	maxwellbaca@uga.edu
ST:PHONE                         	7065420257
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	1
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_BIOSOURCE_OR_SUPPLIER    	Astarte Bio
SU:CELL_STRAIN_DETAILS           	Cat 1017-3975JY18
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_1	method:Buffer_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/1; batch=1; NMR_run_ID=1
SUBJECT_SAMPLE_FACTORS           	20	batch1_2	method:Beads | timepoint:14 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/2; batch=1; NMR_run_ID=2
SUBJECT_SAMPLE_FACTORS           	14	batch1_3	method:DMS | timepoint:6 | il2_conc:10 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/3; batch=1; NMR_run_ID=3
SUBJECT_SAMPLE_FACTORS           	13	batch1_4	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/4; batch=1; NMR_run_ID=4
SUBJECT_SAMPLE_FACTORS           	16	batch1_5	method:DMS | timepoint:11 | il2_conc:10 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/5; batch=1; NMR_run_ID=5
SUBJECT_SAMPLE_FACTORS           	3	batch1_6	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/6; batch=1; NMR_run_ID=6
SUBJECT_SAMPLE_FACTORS           	4	batch1_7	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/7; batch=1; NMR_run_ID=7
SUBJECT_SAMPLE_FACTORS           	8	batch1_8	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/8; batch=1; NMR_run_ID=8
SUBJECT_SAMPLE_FACTORS           	21	batch1_9	method:Beads | timepoint:8 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/9; batch=1; NMR_run_ID=9
SUBJECT_SAMPLE_FACTORS           	7	batch1_10	method:DMS | timepoint:14 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/10; batch=1; NMR_run_ID=10
SUBJECT_SAMPLE_FACTORS           	19	batch1_11	method:Beads | timepoint:14 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/11; batch=1; NMR_run_ID=11
SUBJECT_SAMPLE_FACTORS           	4	batch1_12	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/12; batch=1; NMR_run_ID=12
SUBJECT_SAMPLE_FACTORS           	18	batch1_13	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/13; batch=1; NMR_run_ID=13
SUBJECT_SAMPLE_FACTORS           	12	batch1_14	method:DMS | timepoint:4 | il2_conc:10 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/14; batch=1; NMR_run_ID=14
SUBJECT_SAMPLE_FACTORS           	10	batch1_15	method:DMS | timepoint:14 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/15; batch=1; NMR_run_ID=15
SUBJECT_SAMPLE_FACTORS           	10	batch1_16	method:DMS | timepoint:11 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/16; batch=1; NMR_run_ID=16
SUBJECT_SAMPLE_FACTORS           	4	batch1_17	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/17; batch=1; NMR_run_ID=17
SUBJECT_SAMPLE_FACTORS           	19	batch1_18	method:Beads | timepoint:8 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/18; batch=1; NMR_run_ID=18
SUBJECT_SAMPLE_FACTORS           	16	batch1_19	method:DMS | timepoint:4 | il2_conc:10 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/19; batch=1; NMR_run_ID=19
SUBJECT_SAMPLE_FACTORS           	21	batch1_20	method:Beads | timepoint:14 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/20; batch=1; NMR_run_ID=20
SUBJECT_SAMPLE_FACTORS           	6	batch1_21	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/21; batch=1; NMR_run_ID=21
SUBJECT_SAMPLE_FACTORS           	9	batch1_22	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:500 | abs_surface_density:80	RAW_FILE_NAME=batch1/22; batch=1; NMR_run_ID=22
SUBJECT_SAMPLE_FACTORS           	2	batch1_23	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/23; batch=1; NMR_run_ID=23
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_24	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/24; batch=1; NMR_run_ID=24
SUBJECT_SAMPLE_FACTORS           	16	batch1_25	method:DMS | timepoint:6 | il2_conc:10 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/25; batch=1; NMR_run_ID=25
SUBJECT_SAMPLE_FACTORS           	19	batch1_26	method:Beads | timepoint:4 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/26; batch=1; NMR_run_ID=26
SUBJECT_SAMPLE_FACTORS           	1	batch1_27	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/27; batch=1; NMR_run_ID=27
SUBJECT_SAMPLE_FACTORS           	22	batch1_28	method:Beads | timepoint:4 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/28; batch=1; NMR_run_ID=28
SUBJECT_SAMPLE_FACTORS           	6	batch1_29	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/29; batch=1; NMR_run_ID=29
SUBJECT_SAMPLE_FACTORS           	7	batch1_30	method:DMS | timepoint:8 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/30; batch=1; NMR_run_ID=30
SUBJECT_SAMPLE_FACTORS           	23	batch1_31	method:Beads | timepoint:6 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/31; batch=1; NMR_run_ID=31
SUBJECT_SAMPLE_FACTORS           	22	batch1_32	method:Beads | timepoint:11 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/32; batch=1; NMR_run_ID=32
SUBJECT_SAMPLE_FACTORS           	15	batch1_33	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/33; batch=1; NMR_run_ID=33
SUBJECT_SAMPLE_FACTORS           	17	batch1_34	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:60	RAW_FILE_NAME=batch1/34; batch=1; NMR_run_ID=34
SUBJECT_SAMPLE_FACTORS           	8	batch1_35	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/35; batch=1; NMR_run_ID=35
SUBJECT_SAMPLE_FACTORS           	23	batch1_36	method:Beads | timepoint:14 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/36; batch=1; NMR_run_ID=36
SUBJECT_SAMPLE_FACTORS           	8	batch1_37	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/37; batch=1; NMR_run_ID=37
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_38	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/38; batch=1; NMR_run_ID=38
SUBJECT_SAMPLE_FACTORS           	21	batch1_39	method:Beads | timepoint:4 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/39; batch=1; NMR_run_ID=39
SUBJECT_SAMPLE_FACTORS           	14	batch1_40	method:DMS | timepoint:11 | il2_conc:10 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/40; batch=1; NMR_run_ID=40
SUBJECT_SAMPLE_FACTORS           	11	batch1_41	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/41; batch=1; NMR_run_ID=41
SUBJECT_SAMPLE_FACTORS           	15	batch1_42	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/42; batch=1; NMR_run_ID=42
SUBJECT_SAMPLE_FACTORS           	13	batch1_43	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/43; batch=1; NMR_run_ID=43
SUBJECT_SAMPLE_FACTORS           	13	batch1_44	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/44; batch=1; NMR_run_ID=44
SUBJECT_SAMPLE_FACTORS           	21	batch1_45	method:Beads | timepoint:6 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/45; batch=1; NMR_run_ID=45
SUBJECT_SAMPLE_FACTORS           	8	batch1_46	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/46; batch=1; NMR_run_ID=46
SUBJECT_SAMPLE_FACTORS           	17	batch1_47	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:60	RAW_FILE_NAME=batch1/47; batch=1; NMR_run_ID=47
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_48	method:Buffer_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/48; batch=1; NMR_run_ID=48
SUBJECT_SAMPLE_FACTORS           	18	batch1_49	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/49; batch=1; NMR_run_ID=49
SUBJECT_SAMPLE_FACTORS           	15	batch1_50	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/50; batch=1; NMR_run_ID=50
SUBJECT_SAMPLE_FACTORS           	24	batch1_51	method:Beads | timepoint:6 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/51; batch=1; NMR_run_ID=51
SUBJECT_SAMPLE_FACTORS           	12	batch1_52	method:DMS | timepoint:14 | il2_conc:10 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/52; batch=1; NMR_run_ID=52
SUBJECT_SAMPLE_FACTORS           	14	batch1_53	method:DMS | timepoint:4 | il2_conc:10 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/53; batch=1; NMR_run_ID=53
SUBJECT_SAMPLE_FACTORS           	13	batch1_54	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/54; batch=1; NMR_run_ID=54
SUBJECT_SAMPLE_FACTORS           	5	batch1_55	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:100	RAW_FILE_NAME=batch1/55; batch=1; NMR_run_ID=55
SUBJECT_SAMPLE_FACTORS           	12	batch1_57	method:DMS | timepoint:8 | il2_conc:10 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/57; batch=1; NMR_run_ID=57
SUBJECT_SAMPLE_FACTORS           	1	batch1_58	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/58; batch=1; NMR_run_ID=58
SUBJECT_SAMPLE_FACTORS           	20	batch1_59	method:Beads | timepoint:8 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/59; batch=1; NMR_run_ID=59
SUBJECT_SAMPLE_FACTORS           	9	batch1_60	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:500 | abs_surface_density:80	RAW_FILE_NAME=batch1/60; batch=1; NMR_run_ID=60
SUBJECT_SAMPLE_FACTORS           	8	batch1_61	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/61; batch=1; NMR_run_ID=61
SUBJECT_SAMPLE_FACTORS           	23	batch1_62	method:Beads | timepoint:8 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/62; batch=1; NMR_run_ID=62
SUBJECT_SAMPLE_FACTORS           	23	batch1_63	method:Beads | timepoint:4 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/63; batch=1; NMR_run_ID=63
SUBJECT_SAMPLE_FACTORS           	6	batch1_64	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/64; batch=1; NMR_run_ID=64
SUBJECT_SAMPLE_FACTORS           	19	batch1_65	method:Beads | timepoint:6 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/65; batch=1; NMR_run_ID=65
SUBJECT_SAMPLE_FACTORS           	17	batch1_66	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:60	RAW_FILE_NAME=batch1/66; batch=1; NMR_run_ID=66
SUBJECT_SAMPLE_FACTORS           	19	batch1_67	method:Beads | timepoint:11 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/67; batch=1; NMR_run_ID=67
SUBJECT_SAMPLE_FACTORS           	18	batch1_68	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/68; batch=1; NMR_run_ID=68
SUBJECT_SAMPLE_FACTORS           	6	batch1_69	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/69; batch=1; NMR_run_ID=69
SUBJECT_SAMPLE_FACTORS           	5	batch1_70	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:100	RAW_FILE_NAME=batch1/70; batch=1; NMR_run_ID=70
SUBJECT_SAMPLE_FACTORS           	10	batch1_71	method:DMS | timepoint:6 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/71; batch=1; NMR_run_ID=71
SUBJECT_SAMPLE_FACTORS           	21	batch1_72	method:Beads | timepoint:11 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/72; batch=1; NMR_run_ID=72
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_73	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/73; batch=1; NMR_run_ID=73
SUBJECT_SAMPLE_FACTORS           	16	batch1_74	method:DMS | timepoint:14 | il2_conc:10 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/74; batch=1; NMR_run_ID=74
SUBJECT_SAMPLE_FACTORS           	7	batch1_75	method:DMS | timepoint:6 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/75; batch=1; NMR_run_ID=75
SUBJECT_SAMPLE_FACTORS           	18	batch1_76	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/76; batch=1; NMR_run_ID=76
SUBJECT_SAMPLE_FACTORS           	14	batch1_77	method:DMS | timepoint:8 | il2_conc:10 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/77; batch=1; NMR_run_ID=77
SUBJECT_SAMPLE_FACTORS           	22	batch1_78	method:Beads | timepoint:14 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/78; batch=1; NMR_run_ID=78
SUBJECT_SAMPLE_FACTORS           	4	batch1_79	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/79; batch=1; NMR_run_ID=79
SUBJECT_SAMPLE_FACTORS           	3	batch1_80	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/80; batch=1; NMR_run_ID=80
SUBJECT_SAMPLE_FACTORS           	16	batch1_81	method:DMS | timepoint:8 | il2_conc:10 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/81; batch=1; NMR_run_ID=81
SUBJECT_SAMPLE_FACTORS           	13	batch1_82	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/82; batch=1; NMR_run_ID=82
SUBJECT_SAMPLE_FACTORS           	6	batch1_83	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/83; batch=1; NMR_run_ID=83
SUBJECT_SAMPLE_FACTORS           	3	batch1_84	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/84; batch=1; NMR_run_ID=84
SUBJECT_SAMPLE_FACTORS           	4	batch1_85	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/85; batch=1; NMR_run_ID=85
SUBJECT_SAMPLE_FACTORS           	1	batch1_86	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/86; batch=1; NMR_run_ID=86
SUBJECT_SAMPLE_FACTORS           	11	batch1_87	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/87; batch=1; NMR_run_ID=87
SUBJECT_SAMPLE_FACTORS           	9	batch1_88	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:500 | abs_surface_density:80	RAW_FILE_NAME=batch1/88; batch=1; NMR_run_ID=88
SUBJECT_SAMPLE_FACTORS           	7	batch1_89	method:DMS | timepoint:11 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/89; batch=1; NMR_run_ID=89
SUBJECT_SAMPLE_FACTORS           	18	batch1_90	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/90; batch=1; NMR_run_ID=90
SUBJECT_SAMPLE_FACTORS           	15	batch1_91	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/91; batch=1; NMR_run_ID=91
SUBJECT_SAMPLE_FACTORS           	20	batch1_92	method:Beads | timepoint:11 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/92; batch=1; NMR_run_ID=92
SUBJECT_SAMPLE_FACTORS           	10	batch1_93	method:DMS | timepoint:8 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/93; batch=1; NMR_run_ID=93
SUBJECT_SAMPLE_FACTORS           	15	batch1_94	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/94; batch=1; NMR_run_ID=94
SUBJECT_SAMPLE_FACTORS           	2	batch1_95	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/95; batch=1; NMR_run_ID=95
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_96	method:Buffer_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/96; batch=1; NMR_run_ID=96
SUBJECT_SAMPLE_FACTORS           	5	batch1_98	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:100	RAW_FILE_NAME=batch1/98; batch=1; NMR_run_ID=98
SUBJECT_SAMPLE_FACTORS           	3	batch1_100	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/100; batch=1; NMR_run_ID=100
SUBJECT_SAMPLE_FACTORS           	24	batch1_101	method:Beads | timepoint:4 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/101; batch=1; NMR_run_ID=101
SUBJECT_SAMPLE_FACTORS           	7	batch1_102	method:DMS | timepoint:4 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:60	RAW_FILE_NAME=batch1/102; batch=1; NMR_run_ID=102
SUBJECT_SAMPLE_FACTORS           	24	batch1_103	method:Beads | timepoint:11 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/103; batch=1; NMR_run_ID=103
SUBJECT_SAMPLE_FACTORS           	1	batch1_104	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/104; batch=1; NMR_run_ID=104
SUBJECT_SAMPLE_FACTORS           	5	batch1_105	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:100	RAW_FILE_NAME=batch1/105; batch=1; NMR_run_ID=105
SUBJECT_SAMPLE_FACTORS           	2	batch1_106	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/106; batch=1; NMR_run_ID=106
SUBJECT_SAMPLE_FACTORS           	14	batch1_107	method:DMS | timepoint:14 | il2_conc:10 | carrier_conc:500 | abs_surface_density:60	RAW_FILE_NAME=batch1/107; batch=1; NMR_run_ID=107
SUBJECT_SAMPLE_FACTORS           	24	batch1_108	method:Beads | timepoint:8 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/108; batch=1; NMR_run_ID=108
SUBJECT_SAMPLE_FACTORS           	17	batch1_109	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:60	RAW_FILE_NAME=batch1/109; batch=1; NMR_run_ID=109
SUBJECT_SAMPLE_FACTORS           	9	batch1_110	method:DMS | timepoint:11 | il2_conc:20 | carrier_conc:500 | abs_surface_density:80	RAW_FILE_NAME=batch1/110; batch=1; NMR_run_ID=110
SUBJECT_SAMPLE_FACTORS           	12	batch1_111	method:DMS | timepoint:6 | il2_conc:10 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/111; batch=1; NMR_run_ID=111
SUBJECT_SAMPLE_FACTORS           	11	batch1_112	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/112; batch=1; NMR_run_ID=112
SUBJECT_SAMPLE_FACTORS           	11	batch1_113	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/113; batch=1; NMR_run_ID=113
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_114	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/114; batch=1; NMR_run_ID=114
SUBJECT_SAMPLE_FACTORS           	3	batch1_115	method:DMS | timepoint:6 | il2_conc:20 | carrier_conc:20 | abs_surface_density:20	RAW_FILE_NAME=batch1/115; batch=1; NMR_run_ID=115
SUBJECT_SAMPLE_FACTORS           	22	batch1_116	method:Beads | timepoint:6 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/116; batch=1; NMR_run_ID=116
SUBJECT_SAMPLE_FACTORS           	20	batch1_117	method:Beads | timepoint:6 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/117; batch=1; NMR_run_ID=117
SUBJECT_SAMPLE_FACTORS           	23	batch1_118	method:Beads | timepoint:11 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/118; batch=1; NMR_run_ID=118
SUBJECT_SAMPLE_FACTORS           	20	batch1_119	method:Beads | timepoint:4 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/119; batch=1; NMR_run_ID=119
SUBJECT_SAMPLE_FACTORS           	1	batch1_120	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:500 | abs_surface_density:100	RAW_FILE_NAME=batch1/120; batch=1; NMR_run_ID=120
SUBJECT_SAMPLE_FACTORS           	10	batch1_121	method:DMS | timepoint:4 | il2_conc:10 | carrier_conc:2500 | abs_surface_density:100	RAW_FILE_NAME=batch1/121; batch=1; NMR_run_ID=121
SUBJECT_SAMPLE_FACTORS           	2	batch1_122	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/122; batch=1; NMR_run_ID=122
SUBJECT_SAMPLE_FACTORS           	22	batch1_123	method:Beads | timepoint:8 | il2_conc:20 | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/123; batch=1; NMR_run_ID=123
SUBJECT_SAMPLE_FACTORS           	2	batch1_124	method:DMS | timepoint:14 | il2_conc:20 | carrier_conc:2500 | abs_surface_density:80	RAW_FILE_NAME=batch1/124; batch=1; NMR_run_ID=124
SUBJECT_SAMPLE_FACTORS           	17	batch1_125	method:DMS | timepoint:4 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:60	RAW_FILE_NAME=batch1/125; batch=1; NMR_run_ID=125
SUBJECT_SAMPLE_FACTORS           	9	batch1_126	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:500 | abs_surface_density:80	RAW_FILE_NAME=batch1/126; batch=1; NMR_run_ID=126
SUBJECT_SAMPLE_FACTORS           	5	batch1_127	method:DMS | timepoint:8 | il2_conc:20 | carrier_conc:1500 | abs_surface_density:100	RAW_FILE_NAME=batch1/127; batch=1; NMR_run_ID=127
SUBJECT_SAMPLE_FACTORS           	12	batch1_128	method:DMS | timepoint:11 | il2_conc:10 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/128; batch=1; NMR_run_ID=128
SUBJECT_SAMPLE_FACTORS           	11	batch1_129	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:80	RAW_FILE_NAME=batch1/129; batch=1; NMR_run_ID=129
SUBJECT_SAMPLE_FACTORS           	n/a	batch1_130	method:Buffer_control_last | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch1/130; batch=1; NMR_run_ID=130
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_1	method:Buffer_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/1; batch=2; NMR_run_ID=1
SUBJECT_SAMPLE_FACTORS           	18	batch2_2	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/2; batch=2; NMR_run_ID=2
SUBJECT_SAMPLE_FACTORS           	6	batch2_3	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/3; batch=2; NMR_run_ID=3
SUBJECT_SAMPLE_FACTORS           	19	batch2_4	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/4; batch=2; NMR_run_ID=4
SUBJECT_SAMPLE_FACTORS           	17	batch2_5	method:DMS | timepoint:4 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/5; batch=2; NMR_run_ID=5
SUBJECT_SAMPLE_FACTORS           	2	batch2_6	method:DMS | timepoint:6 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/6; batch=2; NMR_run_ID=6
SUBJECT_SAMPLE_FACTORS           	9	batch2_7	method:DMS | timepoint:11 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/7; batch=2; NMR_run_ID=7
SUBJECT_SAMPLE_FACTORS           	10	batch2_8	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/8; batch=2; NMR_run_ID=8
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_9	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/9; batch=2; NMR_run_ID=9
SUBJECT_SAMPLE_FACTORS           	11	batch2_10	method:DMS | timepoint:4 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/10; batch=2; NMR_run_ID=10
SUBJECT_SAMPLE_FACTORS           	18	batch2_11	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/11; batch=2; NMR_run_ID=11
SUBJECT_SAMPLE_FACTORS           	7	batch2_12	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/12; batch=2; NMR_run_ID=12
SUBJECT_SAMPLE_FACTORS           	20	batch2_13	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/13; batch=2; NMR_run_ID=13
SUBJECT_SAMPLE_FACTORS           	2	batch2_14	method:DMS | timepoint:11 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/14; batch=2; NMR_run_ID=14
SUBJECT_SAMPLE_FACTORS           	7	batch2_15	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/15; batch=2; NMR_run_ID=15
SUBJECT_SAMPLE_FACTORS           	17	batch2_16	method:DMS | timepoint:6 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/16; batch=2; NMR_run_ID=16
SUBJECT_SAMPLE_FACTORS           	16	batch2_17	method:DMS | timepoint:14 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/17; batch=2; NMR_run_ID=17
SUBJECT_SAMPLE_FACTORS           	1	batch2_18	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/18; batch=2; NMR_run_ID=18
SUBJECT_SAMPLE_FACTORS           	6	batch2_19	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/19; batch=2; NMR_run_ID=19
SUBJECT_SAMPLE_FACTORS           	3	batch2_20	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/20; batch=2; NMR_run_ID=20
SUBJECT_SAMPLE_FACTORS           	10	batch2_21	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/21; batch=2; NMR_run_ID=21
SUBJECT_SAMPLE_FACTORS           	3	batch2_22	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/22; batch=2; NMR_run_ID=22
SUBJECT_SAMPLE_FACTORS           	20	batch2_23	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/23; batch=2; NMR_run_ID=23
SUBJECT_SAMPLE_FACTORS           	19	batch2_24	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/24; batch=2; NMR_run_ID=24
SUBJECT_SAMPLE_FACTORS           	15	batch2_25	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/25; batch=2; NMR_run_ID=25
SUBJECT_SAMPLE_FACTORS           	6	batch2_26	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/26; batch=2; NMR_run_ID=26
SUBJECT_SAMPLE_FACTORS           	8	batch2_27	method:DMS | timepoint:8 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/27; batch=2; NMR_run_ID=27
SUBJECT_SAMPLE_FACTORS           	5	batch2_28	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/28; batch=2; NMR_run_ID=28
SUBJECT_SAMPLE_FACTORS           	20	batch2_29	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/29; batch=2; NMR_run_ID=29
SUBJECT_SAMPLE_FACTORS           	8	batch2_30	method:DMS | timepoint:4 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/30; batch=2; NMR_run_ID=30
SUBJECT_SAMPLE_FACTORS           	14	batch2_31	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/31; batch=2; NMR_run_ID=31
SUBJECT_SAMPLE_FACTORS           	17	batch2_32	method:DMS | timepoint:11 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/32; batch=2; NMR_run_ID=32
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_33	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/33; batch=2; NMR_run_ID=33
SUBJECT_SAMPLE_FACTORS           	7	batch2_34	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/34; batch=2; NMR_run_ID=34
SUBJECT_SAMPLE_FACTORS           	13	batch2_35	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/35; batch=2; NMR_run_ID=35
SUBJECT_SAMPLE_FACTORS           	11	batch2_36	method:DMS | timepoint:6 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/36; batch=2; NMR_run_ID=36
SUBJECT_SAMPLE_FACTORS           	4	batch2_37	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/37; batch=2; NMR_run_ID=37
SUBJECT_SAMPLE_FACTORS           	1	batch2_38	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/38; batch=2; NMR_run_ID=38
SUBJECT_SAMPLE_FACTORS           	12	batch2_39	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/39; batch=2; NMR_run_ID=39
SUBJECT_SAMPLE_FACTORS           	5	batch2_40	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/40; batch=2; NMR_run_ID=40
SUBJECT_SAMPLE_FACTORS           	13	batch2_41	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/41; batch=2; NMR_run_ID=41
SUBJECT_SAMPLE_FACTORS           	10	batch2_42	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/42; batch=2; NMR_run_ID=42
SUBJECT_SAMPLE_FACTORS           	9	batch2_43	method:DMS | timepoint:14 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/43; batch=2; NMR_run_ID=43
SUBJECT_SAMPLE_FACTORS           	11	batch2_44	method:DMS | timepoint:14 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/44; batch=2; NMR_run_ID=44
SUBJECT_SAMPLE_FACTORS           	4	batch2_45	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/45; batch=2; NMR_run_ID=45
SUBJECT_SAMPLE_FACTORS           	16	batch2_46	method:DMS | timepoint:11 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/46; batch=2; NMR_run_ID=46
SUBJECT_SAMPLE_FACTORS           	12	batch2_47	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/47; batch=2; NMR_run_ID=47
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_48	method:Buffer_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/48; batch=2; NMR_run_ID=48
SUBJECT_SAMPLE_FACTORS           	19	batch2_49	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/49; batch=2; NMR_run_ID=49
SUBJECT_SAMPLE_FACTORS           	10	batch2_50	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/50; batch=2; NMR_run_ID=50
SUBJECT_SAMPLE_FACTORS           	6	batch2_51	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/51; batch=2; NMR_run_ID=51
SUBJECT_SAMPLE_FACTORS           	2	batch2_52	method:DMS | timepoint:14 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/52; batch=2; NMR_run_ID=52
SUBJECT_SAMPLE_FACTORS           	14	batch2_53	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/53; batch=2; NMR_run_ID=53
SUBJECT_SAMPLE_FACTORS           	14	batch2_54	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/54; batch=2; NMR_run_ID=54
SUBJECT_SAMPLE_FACTORS           	18	batch2_55	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/55; batch=2; NMR_run_ID=55
SUBJECT_SAMPLE_FACTORS           	8	batch2_56	method:DMS | timepoint:6 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/56; batch=2; NMR_run_ID=56
SUBJECT_SAMPLE_FACTORS           	17	batch2_57	method:DMS | timepoint:8 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/57; batch=2; NMR_run_ID=57
SUBJECT_SAMPLE_FACTORS           	15	batch2_58	method:DMS | timepoint:8 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/58; batch=2; NMR_run_ID=58
SUBJECT_SAMPLE_FACTORS           	12	batch2_59	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/59; batch=2; NMR_run_ID=59
SUBJECT_SAMPLE_FACTORS           	1	batch2_60	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/60; batch=2; NMR_run_ID=60
SUBJECT_SAMPLE_FACTORS           	4	batch2_61	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/61; batch=2; NMR_run_ID=61
SUBJECT_SAMPLE_FACTORS           	16	batch2_62	method:DMS | timepoint:6 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/62; batch=2; NMR_run_ID=62
SUBJECT_SAMPLE_FACTORS           	4	batch2_63	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/63; batch=2; NMR_run_ID=63
SUBJECT_SAMPLE_FACTORS           	20	batch2_64	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/64; batch=2; NMR_run_ID=64
SUBJECT_SAMPLE_FACTORS           	4	batch2_65	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/65; batch=2; NMR_run_ID=65
SUBJECT_SAMPLE_FACTORS           	15	batch2_66	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/66; batch=2; NMR_run_ID=66
SUBJECT_SAMPLE_FACTORS           	2	batch2_67	method:DMS | timepoint:4 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/67; batch=2; NMR_run_ID=67
SUBJECT_SAMPLE_FACTORS           	9	batch2_68	method:DMS | timepoint:8 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/68; batch=2; NMR_run_ID=68
SUBJECT_SAMPLE_FACTORS           	1	batch2_69	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/69; batch=2; NMR_run_ID=69
SUBJECT_SAMPLE_FACTORS           	5	batch2_70	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/70; batch=2; NMR_run_ID=70
SUBJECT_SAMPLE_FACTORS           	12	batch2_71	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/71; batch=2; NMR_run_ID=71
SUBJECT_SAMPLE_FACTORS           	11	batch2_72	method:DMS | timepoint:11 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/72; batch=2; NMR_run_ID=72
SUBJECT_SAMPLE_FACTORS           	18	batch2_73	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/73; batch=2; NMR_run_ID=73
SUBJECT_SAMPLE_FACTORS           	8	batch2_74	method:DMS | timepoint:14 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/74; batch=2; NMR_run_ID=74
SUBJECT_SAMPLE_FACTORS           	13	batch2_75	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/75; batch=2; NMR_run_ID=75
SUBJECT_SAMPLE_FACTORS           	15	batch2_76	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/76; batch=2; NMR_run_ID=76
SUBJECT_SAMPLE_FACTORS           	13	batch2_77	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/77; batch=2; NMR_run_ID=77
SUBJECT_SAMPLE_FACTORS           	14	batch2_78	method:DMS | timepoint:6 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/78; batch=2; NMR_run_ID=78
SUBJECT_SAMPLE_FACTORS           	19	batch2_79	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/79; batch=2; NMR_run_ID=79
SUBJECT_SAMPLE_FACTORS           	7	batch2_80	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/80; batch=2; NMR_run_ID=80
SUBJECT_SAMPLE_FACTORS           	19	batch2_81	method:DMS | timepoint:8 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/81; batch=2; NMR_run_ID=81
SUBJECT_SAMPLE_FACTORS           	3	batch2_82	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/82; batch=2; NMR_run_ID=82
SUBJECT_SAMPLE_FACTORS           	6	batch2_83	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/83; batch=2; NMR_run_ID=83
SUBJECT_SAMPLE_FACTORS           	3	batch2_84	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/84; batch=2; NMR_run_ID=84
SUBJECT_SAMPLE_FACTORS           	11	batch2_85	method:DMS | timepoint:8 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/85; batch=2; NMR_run_ID=85
SUBJECT_SAMPLE_FACTORS           	16	batch2_86	method:DMS | timepoint:4 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/86; batch=2; NMR_run_ID=86
SUBJECT_SAMPLE_FACTORS           	16	batch2_87	method:DMS | timepoint:8 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/87; batch=2; NMR_run_ID=87
SUBJECT_SAMPLE_FACTORS           	1	batch2_88	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/88; batch=2; NMR_run_ID=88
SUBJECT_SAMPLE_FACTORS           	18	batch2_89	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/89; batch=2; NMR_run_ID=89
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_90	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/90; batch=2; NMR_run_ID=90
SUBJECT_SAMPLE_FACTORS           	8	batch2_91	method:DMS | timepoint:11 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/91; batch=2; NMR_run_ID=91
SUBJECT_SAMPLE_FACTORS           	5	batch2_92	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/92; batch=2; NMR_run_ID=92
SUBJECT_SAMPLE_FACTORS           	9	batch2_93	method:DMS | timepoint:6 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/93; batch=2; NMR_run_ID=93
SUBJECT_SAMPLE_FACTORS           	3	batch2_94	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/94; batch=2; NMR_run_ID=94
SUBJECT_SAMPLE_FACTORS           	13	batch2_95	method:DMS | timepoint:14 | il2_conc:40 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/95; batch=2; NMR_run_ID=95
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_96	method:Buffer_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/96; batch=2; NMR_run_ID=96
SUBJECT_SAMPLE_FACTORS           	7	batch2_97	method:DMS | timepoint:14 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/97; batch=2; NMR_run_ID=97
SUBJECT_SAMPLE_FACTORS           	20	batch2_98	method:DMS | timepoint:11 | il2_conc:40 | carrier_conc:3500 | abs_surface_density:1729	RAW_FILE_NAME=batch2/98; batch=2; NMR_run_ID=98
SUBJECT_SAMPLE_FACTORS           	17	batch2_99	method:DMS | timepoint:14 | il2_conc:35 | carrier_conc:3000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/99; batch=2; NMR_run_ID=99
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_100	method:Internal_control | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/100; batch=2; NMR_run_ID=100
SUBJECT_SAMPLE_FACTORS           	12	batch2_101	method:DMS | timepoint:4 | il2_conc:30 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/101; batch=2; NMR_run_ID=101
SUBJECT_SAMPLE_FACTORS           	2	batch2_102	method:DMS | timepoint:8 | il2_conc:35 | carrier_conc:2000 | abs_surface_density:1282	RAW_FILE_NAME=batch2/102; batch=2; NMR_run_ID=102
SUBJECT_SAMPLE_FACTORS           	15	batch2_103	method:DMS | timepoint:11 | il2_conc:30 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/103; batch=2; NMR_run_ID=103
SUBJECT_SAMPLE_FACTORS           	14	batch2_104	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/104; batch=2; NMR_run_ID=104
SUBJECT_SAMPLE_FACTORS           	10	batch2_105	method:DMS | timepoint:6 | il2_conc:30 | carrier_conc:1500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/105; batch=2; NMR_run_ID=105
SUBJECT_SAMPLE_FACTORS           	5	batch2_106	method:DMS | timepoint:4 | il2_conc:40 | carrier_conc:2500 | abs_surface_density:1282	RAW_FILE_NAME=batch2/106; batch=2; NMR_run_ID=106
SUBJECT_SAMPLE_FACTORS           	9	batch2_107	method:DMS | timepoint:4 | il2_conc:35 | carrier_conc:1000 | abs_surface_density:1729	RAW_FILE_NAME=batch2/107; batch=2; NMR_run_ID=107
SUBJECT_SAMPLE_FACTORS           	n/a	batch2_108	method:Buffer_control_last | timepoint:n/a | il2_conc:n/a | carrier_conc:n/a | abs_surface_density:n/a	RAW_FILE_NAME=batch2/108; batch=2; NMR_run_ID=108
#COLLECTION
CO:COLLECTION_SUMMARY            	Conditioned culture media (Miltenyi Texmacs media). Was collected via pipetting
CO:COLLECTION_SUMMARY            	as described in sample prep protocol document.
CO:SAMPLE_TYPE                   	T-cells
CO:COLLECTION_METHOD             	Pipette
CO:VOLUMEORAMOUNT_COLLECTED      	60 uL
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Cultures were prepared with varied IL2 concentration, DMS concentration, and DMS
TR:TREATMENT_SUMMARY             	surface densities as described in study design. Culture media was replenished on
TR:TREATMENT_SUMMARY             	days 4, 6, 8, 11 after sampling.
TR:CELL_MEDIA                    	Miltenyi Texmacs (Cat. 170-076-307)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Media samples were thawed at 4°C, then centrifuged at maximum speed for 15
SP:SAMPLEPREP_SUMMARY            	minutes. 45 uL were transferred directly to NMR tube containing 5 uL of D2O with
SP:SAMPLEPREP_SUMMARY            	100 uM DSS and mixed. Remaining supernatant from each sample combined for
SP:SAMPLEPREP_SUMMARY            	internal controls.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	mbcolonna_20200812_100701_PR_SP_protocol.pdf
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACTION_METHOD             	None
#ANALYSIS
AN:ANALYSIS_TYPE                 	NMR
AN:LABORATORY_NAME               	Edison
AN:OPERATOR_NAME                 	Maxwell Colonna
AN:DATA_FORMAT                   	Bruker
#NMR
NM:INSTRUMENT_NAME               	Bruker Avance III HD
NM:INSTRUMENT_TYPE               	FT-NMR
NM:NMR_EXPERIMENT_TYPE           	1D-1H
NM:FIELD_FREQUENCY_LOCK          	Deuterium
NM:SPECTROMETER_FREQUENCY        	600 MHz
NM:NMR_PROBE                     	5mm TCI
NM:NMR_SOLVENT                   	90% H2O, 10% D2O
NM:NMR_TUBE_SIZE                 	1.7mm
NM:SHIMMING_METHOD               	Topshim
NM:PULSE_SEQUENCE                	noesypr1d
NM:WATER_SUPPRESSION             	Presaturation
NM:PULSE_WIDTH                   	7.45 us
NM:POWER_LEVEL                   	5.5584 W
NM:RECEIVER_GAIN                 	203
NM:OFFSET_FREQUENCY              	2819.9 Hz
NM:PRESATURATION_POWER_LEVEL     	1.2333e-05 W
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	25
NM:NUMBER_OF_SCANS               	128
NM:DUMMY_SCANS                   	4
NM:ACQUISITION_TIME              	2.72 s
NM:RELAXATION_DELAY              	4 s
NM:SPECTRAL_WIDTH                	20 ppm
NM:NUM_DATA_POINTS_ACQUIRED      	65382
NM:LINE_BROADENING               	0.3 Hz
NM:BASELINE_CORRECTION_METHOD    	Polynomial order 5
NM:NMR_RESULTS_FILE               	ST001476_AN002452_Results.txt	UNITS:AU
#END