#METABOLOMICS WORKBENCH wpathmasiri_20140314_9533581_mwtab.txt DATATRACK_ID:61 TEXT OUTPUT STUDY_ID:ST000029 ANALYSIS_ID:AN000049 PROJECT_ID:PR000025
VERSION             	1
CREATED_ON          	10-02-2015
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics Involved in Early Life Antibiotic Exposures
PR:PROJECT_TYPE                  	Obesity modeling of antibiotic exposure
PR:PROJECT_SUMMARY               	The project Metabolomics Involved in Early Life Antibiotic Exposures profiled a
PR:PROJECT_SUMMARY               	total of 90 samples from five sub-studies (DuraSTAT, TranSTAT, NOD, EstroSTAT
PR:PROJECT_SUMMARY               	and VG STAT) which included a total of four sample matrices (urine, serum, liver
PR:PROJECT_SUMMARY               	tissue and cecal contents). Within each sub-study, there were three sample
PR:PROJECT_SUMMARY               	matrices except for VG STAT, for which there was only two. For each matrix type
PR:PROJECT_SUMMARY               	within each sub-study 6 samples were analyzed for a total of 18 samples per
PR:PROJECT_SUMMARY               	sub-study (9 of each in VG STAT), the samples were equally divided into
PR:PROJECT_SUMMARY               	STAT/PAT-treated (sub-therapeutic antibiotic treatment (STAT) and therapeutic
PR:PROJECT_SUMMARY               	dose-pulsed antibiotic treatment (PAT)) collected at various time-points versus
PR:PROJECT_SUMMARY               	untreated Controls for each matrix.
PR:INSTITUTE                     	New York University
PR:DEPARTMENT                    	School of Medicine
PR:LABORATORY                    	Blaser Laboratory
PR:LAST_NAME                     	Blaser
PR:FIRST_NAME                    	Martin J.
PR:ADDRESS                       	550 First Avenue, BCD 690, New York, NY 10016
PR:EMAIL                         	Martin.Blaser@nyumc.org
PR:PUBLICATIONS                  	Cho I, Blaser MJ. The human microbiome: at the interface of health and disease.
PR:PUBLICATIONS                  	Nature Reviews. Genetics 2012; 13; 260-270
PR:PHONE                         	-
#STUDY
ST:STUDY_TITLE                   	Metabolomics Involved in Early Life Antibiotic Exposures(TranSTAT-Cecal)
ST:STUDY_TYPE                    	Metabolomics
ST:STUDY_SUMMARY                 	In the TranSTAT sub-study, a total of 18 samples from 8 week old, female Swiss
ST:STUDY_SUMMARY                 	webster mice; comprised of 6 serum samples, 6 cecal content samples and 6 liver
ST:STUDY_SUMMARY                 	tissue samples were analyzed. Three mice/matrix were inoculated with cecal
ST:STUDY_SUMMARY                 	contents from STAT mice and 3 mice/matrix were inoculated with cecal contents
ST:STUDY_SUMMARY                 	from Control mice. The mice were housed with conventional bedding and fed a high
ST:STUDY_SUMMARY                 	fat diet.
ST:INSTITUTE                     	RTI International
ST:DEPARTMENT                    	Systems and Translational Sciences (STS)
ST:LABORATORY                    	NIH Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)
ST:LAST_NAME                     	Sumner
ST:FIRST_NAME                    	Susan
ST:EMAIL                         	ssumner@rti.org
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	6
ST:STUDY_COMMENTS                	TranSTAT_Cecal Study
ST:PHONE                         	-
ST:ADDRESS                       	-
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	Swiss Webster Mice
SU:GENDER                        	Female
SU:ANIMAL_ANIMAL_SUPPLIER        	Taconic
SU:ANIMAL_HOUSING                	Conventional
SU:ANIMAL_FEED                   	High Fat Diet
SU:SPECIES_GROUP                 	Mammal
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	CTC001	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	CTC003	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	CTC005	Treatment Group:Control	
SUBJECT_SAMPLE_FACTORS           	-	CPL101	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL102	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL103	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL201	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL202	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	CPL203	Treatment Group:Pooled QC	
SUBJECT_SAMPLE_FACTORS           	-	CTS002	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	CTS005	Treatment Group:STAT	
SUBJECT_SAMPLE_FACTORS           	-	CTS008	Treatment Group:STAT	
#COLLECTION
CO:SAMPLE_TYPE                   	cecal contents
CO:COLLECTION_TIME               	8 weeks
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	Three mice were inoculated with cecal contents from STAT mice and 3 mice were
TR:TREATMENT_SUMMARY             	inoculated with cecal contents from control mice. STAT = sub-therapeutic
TR:TREATMENT_SUMMARY             	antibiotic treatment.
TR:TREATMENT_ROUTE               	cecal transfer
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen cecal contents (cecal) samples were weighed into labeled homogenizer bead
SP:SAMPLEPREP_SUMMARY            	tubes.  D20 was added to each tube (500 µL if less than 50 mg and 1000 µL if
SP:SAMPLEPREP_SUMMARY            	more than 100 mg of tissue).  The samples were homogenized on a Spex
SP:SAMPLEPREP_SUMMARY            	Geno/Grinder for two 30 second pulses at 1750 rpm.  Samples were centrifuged at
SP:SAMPLEPREP_SUMMARY            	12000 rcf for 5 min.  Cecal supernatants were transferred (450/700 µL) into 2.0
SP:SAMPLEPREP_SUMMARY            	mL 0.2 µm nylon filter tubes and centrifuged at 16000 rcf until all the
SP:SAMPLEPREP_SUMMARY            	homogenate was filtered.  The 200 µL remaining aliquot from each 1000 µL cecal
SP:SAMPLEPREP_SUMMARY            	sample was combined in a 10 mL tube and vortexed for 30 seconds to generate
SP:SAMPLEPREP_SUMMARY            	pooled samples for QC during analysis. Three “low” QC pools were generated
SP:SAMPLEPREP_SUMMARY            	by transferring 450 µL of the pooled homogenate into 2.0 mL 0.2 µm nylon
SP:SAMPLEPREP_SUMMARY            	filter tubes; and three “high” QC pools were generated by transferring 700
SP:SAMPLEPREP_SUMMARY            	µL of the pooled homogenate into 2.0 mL 0.2 µm nylon filter tubes and also
SP:SAMPLEPREP_SUMMARY            	centrifuged at 16000 rcf until all the homogenate was filtered. The volume of
SP:SAMPLEPREP_SUMMARY            	homogenate needed to analyze 50 mg/sample and volume of D20 needed to bring the
SP:SAMPLEPREP_SUMMARY            	total volume to 630 µL was calculated.  The calculated volumes of filtered
SP:SAMPLEPREP_SUMMARY            	supernatant and D20 were then transferred into BSI-labeled tubes. Chenomx
SP:SAMPLEPREP_SUMMARY            	Internal Standard solution (Chenomx ISTD, Edmonton, Alberta, Canada) contains
SP:SAMPLEPREP_SUMMARY            	5mM 4,4-dimethyl-4-silapentane-1-sulfonic acid (DSS, Chemical Shift Indicator),
SP:SAMPLEPREP_SUMMARY            	100 mM Imidazole (pH indicator), and 0.2% NaN3 (to inhibit bacterial growth) was
SP:SAMPLEPREP_SUMMARY            	added (70 µl) to the tubes.  Samples were vortexed for 30 seconds and
SP:SAMPLEPREP_SUMMARY            	centrifuged at 12000 rcf for 5 minutes.  A 600 µL aliquot of the supernatant
SP:SAMPLEPREP_SUMMARY            	was then transferred into 5mm NMR tubes (Wilmad LabGlass, New Jersey, USA) which
SP:SAMPLEPREP_SUMMARY            	were kept on ice until data acquisition.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	TranSTAT_Cecal_Metabolomics_Procedure.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	-
CH:INSTRUMENT_NAME               	-
CH:COLUMN_NAME                   	-
#ANALYSIS
AN:LABORATORY_NAME               	RTI/ DHHMRI
AN:ANALYSIS_TYPE                 	NMR
AN:ACQUISITION_DATE              	41527
AN:SOFTWARE_VERSION              	Top Spin 3.2
AN:OPERATOR_NAME                 	Wimal Pathmasiri/ Kevin Knagge/ Jason Winnikie
AN:DETECTOR_TYPE                 	NMR
AN:DATA_FORMAT                   	NMR
#NMR
NM:INSTRUMENT_TYPE               	Bruker Avance III
NM:NMR_EXPERIMENT_TYPE           	1D 1H
NM:FIELD_FREQUENCY_LOCK          	Deuterium
NM:STANDARD_CONCENTRATION        	0.5mM
NM:SPECTROMETER_FREQUENCY        	700 MHz
NM:NMR_PROBE                     	cyrogenically cooled ATMA inverse probe
NM:NMR_SOLVENT                   	D2O
NM:NMR_TUBE_SIZE                 	5mm x 4inch
NM:SHIMMING_METHOD               	topshim
NM:PULSE_SEQUENCE                	noesypr1d
NM:WATER_SUPPRESSION             	presat
NM:PULSE_WIDTH                   	14.84 us
NM:POWER_LEVEL                   	25.704w
NM:RECEIVER_GAIN                 	9
NM:OFFSET_FREQUENCY              	3296 Hz
NM:CHEMICAL_SHIFT_REF_CPD        	DSS
NM:TEMPERATURE                   	298.1 K
NM:NUMBER_OF_SCANS               	64
NM:DUMMY_SCANS                   	4
NM:ACQUISITION_TIME              	2.3243434
NM:RELAXATION_DELAY              	2 s
NM:SPECTRAL_WIDTH                	20.1358
NM:NUM_DATA_POINTS_ACQUIRED      	65536
NM:REAL_DATA_POINTS              	65536
NM:LINE_BROADENING               	0.5
NM:ZERO_FILLING                  	yes
NM:APODIZATION                   	lorentzian
NM:BASELINE_CORRECTION_METHOD    	polynomial
NM:CHEMICAL_SHIFT_REF_STD        	DSS
NM:INSTRUMENT_NAME               	Bruker Avance III
#NMR_BINNED_DATA
NMR_BINNED_DATA:UNITS           	Peak area
NMR_BINNED_DATA_START
Bin range(ppm)	CTC001	CTC003	CTC005	CPL101	CPL102	CPL103	CPL201	CPL202	CPL203	CTS002	CTS005	CTS008
0.50...0.52	0.0035627	0	0.02941	0	0	0	0.0052678	0.00024952	0	0.0077062	0.0193	0.021683
0.52...0.57	0	0.000056684	0	0.00020941	0	0	0	0	0.0084851	0.01473	0	0
0.57...0.59	0	0.0030924	0.03692	0.032358	0.00084835	0.008586	0.011574	0	0	0.12538	0.03432	0.049699
0.59...0.65	18.059	12.972	18.96	5.7473	6.5395	6.5304	18.297	13.089	11.342	12.652	15.219	31.696
0.65...0.67	0.51281	0.26652	0.43446	1.0241	1.0906	1.065	0.87219	0.93143	1.0944	0.99679	0	0.40889
0.67...0.73	1.3722	0.72662	3.3766	4.127	4.4985	4.3816	3.8072	3.7053	4.298	3.3993	2.0512	0
0.73...0.76	0	0.012217	0	0.94265	0.9212	0.90981	0.1269	0.048213	0.21088	1.7717	0.40457	0.17825
0.76...0.78	0	0	0	0.56826	0.58964	0.56644	0	0	0	1.296	0	0
0.78...0.80	0.046802	0.074116	0	0.79463	0.81501	0.84508	0	0	0.012942	1.5584	0.031349	0.10205
0.80...0.82	0.76184	0.70098	0.1011	1.0428	1.1425	1.0966	0.072181	0.17287	0.1536	1.937	0.38349	0.64659
0.82...0.85	3.7262	2.6603	1.9996	1.9425	2.2339	2.1361	1.49	1.3248	1.2156	3.3572	1.9919	2.6814
0.85...0.90	27.37	22.177	27.59	14.703	17.142	16.27	17.632	15.619	16.353	15.043	13.143	22.553
0.90...0.92	13.928	6.6825	8.5656	7.2119	7.3288	8.0976	7.5787	6.9045	6.9451	6.1894	5.8235	6.0112
0.92...0.98	69.867	41.776	59.878	57.87	60.926	64.404	59.77	62.245	60.3	35.995	50.921	41.144
0.98...1.01	14.917	11.079	15.116	17.01	17.778	18.621	15.347	17.423	17.061	11.98	14.071	10.308
1.01...1.07	17.945	15.815	19.077	20.629	21.912	22.439	19.32	21.747	21.638	18.869	16.603	11.922
1.07...1.10	0.035922	0.53757	0	1.9706	1.9426	1.8799	0.43027	1.0054	1.4239	2.919	0.13901	0
1.10...1.13	0.37	0.85864	0.23715	2.2891	2.3923	2.2679	1.051	1.3995	1.5664	2.9378	0.49828	0
1.13...1.15	0.84001	0.77442	0.25063	1.5612	1.5797	1.6033	0.97881	0.95674	0.71034	2.0123	0.95459	0
1.15...1.21	34.666	27.411	20.661	45.575	51.823	49.46	48.628	50.129	50.867	49.265	43.85	37.77
1.21...1.23	3.1925	3.8067	4.1606	2.9261	3.4799	2.9703	2.4892	2.8095	3.1921	5.929	3.0681	1.7289
1.23...1.25	3.0984	7.7555	8.8583	3.7521	5.8255	4.0273	4.3769	4.7202	4.634	6.9049	7.4483	5.5012
1.25...1.30	11.888	49.202	62.897	12.04	19.696	13.251	21.609	19.162	18.992	26.051	33.814	50.861
1.30...1.36	32.104	51.907	50.007	25.188	28.715	27.591	32.012	31.143	31.408	52.668	40.78	50.873
1.36...1.38	3.8655	2.6809	3.2106	2.4338	2.4979	2.4435	2.251	2.308	2.81	5.1392	1.8907	1.0136
1.38...1.40	6.6201	3.4106	3.9363	3.5865	3.6359	3.6978	3.5534	3.3924	3.9265	5.292	2.5559	0.76119
1.40...1.44	9.9557	5.9417	7.6627	7.1717	7.369	7.6273	7.2199	7.2376	7.4001	7.6115	5.6157	2.3
1.44...1.49	34.225	25.853	31.654	29.576	30.94	32.149	29.857	32.478	30.93	26.907	29.799	18.377
1.49...1.55	13.526	10.817	13.688	10.793	11.103	11.195	11.802	11.635	12.397	10.771	6.5816	5.5742
1.55...1.60	12.652	14.488	17.875	8.6446	9.2977	8.8053	10.926	9.8249	10.594	11.208	8.6892	8.7003
1.60...1.62	4.4695	3.057	3.3529	3.2296	3.1613	3.2714	3.3067	3.154	3.3663	3.3205	2.3206	0.3845
1.62...1.64	4.8677	2.4213	2.3775	4.2056	4.206	4.3758	4.3621	4.1667	4.4195	3.4576	3.2326	0
1.64...1.67	7.0314	4.0153	4.6595	6.1818	6.2309	6.5105	6.3315	6.1695	6.3597	4.9265	5.2412	1.0844
1.67...1.69	7.8021	5.3947	6.6364	6.8267	6.8861	7.3342	6.7817	6.8392	6.6941	5.274	6.394	2.9078
1.69...1.74	36.156	19.891	28.949	28.297	29.364	30.675	30.155	31.05	29.936	19.802	26.679	16.036
1.74...1.80	22.087	17.631	22.741	12.581	13.014	12.936	23.88	19.324	18.871	18.704	21.283	31.02
1.80...1.82	1.8584	1.7659	1.601	2.814	2.636	2.6614	2.3182	2.3884	2.7089	2.632	2.2557	0
1.82...1.84	2.8347	2.331	2.7549	2.5645	2.4265	2.4547	2.2594	2.2152	2.3677	2.3736	1.7972	0.31705
1.84...1.87	5.1255	4.3096	5.6801	3.8878	3.9107	3.983	3.6049	3.6731	3.5944	3.0418	3.1395	2.4375
1.87...1.93	45.936	29.805	44.279	41.088	44.338	44.318	45.396	46.398	45.839	31.28	33.641	28.597
1.93...1.95	3.2341	2.2292	2.262	2.9186	2.6494	2.714	2.3262	2.5116	3.1041	3.1295	2.679	1.3403
1.95...1.98	6.0318	4.8317	5.3955	5.9147	5.8708	5.9161	5.2244	5.425	5.8296	5.4398	6.3825	3.2136
1.98...2.01	8.272	11.362	11.651	8.2774	9.1242	8.5921	8.157	8.5901	8.5411	8.9068	13.05	9.4359
2.01...2.06	24.825	32.904	32.36	26.064	28.143	27.87	27.927	27.358	28.267	28.402	29.172	33.357
2.06...2.09	6.4004	4.8043	5.1649	5.7274	5.5287	5.6721	5.593	5.4788	6.0243	5.3606	5.6602	3.7631
2.09...2.15	30.66	28.766	31.922	28.79	30.041	30.735	30.078	30.628	31.125	25.028	26.334	28.092
2.15...2.18	7.5204	7.4747	7.7055	7.8349	7.7256	7.7948	9.0277	8.3421	9.2699	8.9844	6.2547	7.0641
2.18...2.20	2.904	2.7207	2.9513	3.029	2.8291	2.811	2.7927	2.7667	3.1859	3.4394	2.5989	1.8072
2.20...2.24	6.1268	9.5539	10.86	6.7029	6.9682	6.3642	7.0867	6.8804	7.5763	7.0571	7.8715	8.7885
2.24...2.30	10.398	8.6883	10.205	8.2299	7.3756	7.7275	8.5175	7.7403	8.542	9.1274	8.5223	9.0267
2.30...2.32	2.8513	2.5032	2.6434	2.4917	2.1357	2.2223	2.1913	2.1092	2.2175	2.6959	2.4283	2.3679
2.32...2.37	20.495	27.319	26.024	21.581	22.645	22.752	21.516	22.435	22.792	24.703	25.728	32.956
2.37...2.41	1.6601	3.4861	1.6746	3.2241	2.3234	2.4481	1.9818	2.0899	2.7733	5.716	3.0444	3.1067
2.41...2.45	4.3286	4.7819	5.0001	6.2157	5.5404	5.7206	4.8759	5.4077	5.5463	5.4111	5.8718	3.1035
2.45...2.51	1.3448	2.2264	1.7765	4.4005	3.0257	3.0281	2.257	2.5188	3.1973	5.037	4.9377	3.0168
2.51...2.57	0	0	0.34354	2.7575	1.2926	1.3375	0.65784	0.68831	1.0373	1.6088	2.3144	1.1097
2.57...2.60	0.01225	0	0	1.0417	0.24842	0.24033	0.07625	0.031488	0.1409	0.35613	0	0
2.60...2.66	5.3035	5.0882	6.1431	6.694	5.6938	5.8506	5.1008	5.2287	5.0564	5.1241	4.8386	5.9219
2.66...2.69	1.8919	2.5962	2.5072	2.9571	2.4938	2.3947	2.2137	2.184	2.3108	2.2883	1.7391	2.1467
2.69...2.71	0.20737	0	0	0.63704	0.025964	0.056393	0	0	0	0.25304	0	0
2.71...2.76	0.94979	1.2208	1.5223	2.2368	0.84972	0.63387	0.0090559	0.051741	0.41639	1.5391	1.2629	0
2.76...2.80	1.7335	2.9813	2.6629	3.6299	3.0463	2.8546	2.2959	2.4309	2.4388	3.1611	2.5437	1.7574
2.80...2.84	1.5485	1.8455	1.6634	3.295	2.6275	2.5974	2.0805	2.2289	2.2441	2.2718	1.4095	0.79404
2.84...2.87	0.72927	0	0.19069	1.9639	0.89009	0.98884	0.60758	0.60372	0.56222	0.74065	0	0
2.87...2.93	19.718	15.324	20.059	9.3187	8.66	8.7341	20.973	15.29	13.39	14.352	17.879	34.036
2.93...2.96	0.48902	0.35899	0.25224	1.3601	0.43195	0.49415	0.17901	0.35433	0.2917	1.1712	0	0
2.96...2.98	1.0413	0.59638	0.26653	0.89113	0.29594	0.31781	0.14434	0.072701	0.058101	0.86887	0.053999	0.14553
2.98...3.03	25.077	20.237	20.773	17.651	17.501	18.032	17.444	18.308	17.302	19.322	20.943	18.945
3.03...3.07	1.7289	1.6706	1.4791	3.139	2.1009	2.2001	1.7163	1.989	2.1805	2.4017	1.4928	0.99003
3.07...3.09	0	0	0	0.88967	0.18046	0.20355	0	0	0	0.4157	0	0
3.09...3.15	10.069	12.741	13.504	8.2378	7.0019	7.2038	6.3924	7.2077	6.2638	6.0931	3.6261	11.642
3.15...3.17	1.263	1.3763	0.99894	1.5783	0.98262	1.053	0.78387	0.92778	0.64313	1.2749	0.96182	0.87279
3.17...3.23	26.092	52.386	17.738	15.372	14.656	15.218	14.327	14.619	13.825	30.936	24.153	25.721
3.23...3.29	19.395	25.019	19.367	17.971	17.386	17.605	17.508	18.277	17.77	32.234	22.825	27.227
3.29...3.34	1.3229	1.8671	1.1913	5.8228	4.4835	4.6577	3.6253	4.2147	3.6604	3.2858	3.8484	1.8276
3.34...3.36	1.6234	1.7854	0.75035	5.0943	4.7614	4.5114	3.7017	3.9419	3.729	3.5241	3.323	2.5886
3.36...3.38	0	0.0066391	0	1.4161	0.77202	0.81085	0.77702	0.85104	0.50958	0.81106	0.37619	0.19391
3.38...3.44	14.236	22.675	18.588	15.222	15.018	14.907	14.401	15.484	14.117	26.898	21.517	23.909
3.44...3.46	0.59476	0.76339	0.8978	2.607	2.0135	2.0513	1.9688	1.9889	1.8278	2.1529	1.6132	1.9713
3.46...3.48	1.2457	1.3039	1.4694	3.6213	3.0365	3.0959	3.0476	3.0179	2.6435	2.7102	2.69	2.929
3.48...3.52	5.4145	12.299	5.3982	8.922	8.4765	8.5485	8.4805	8.5749	7.7111	11.02	9.5533	10.402
3.52...3.58	21.324	27.025	21.425	23.294	23.14	23.814	21.705	22.779	20.771	31.8	25.364	30.526
3.58...3.62	6.8533	11.97	6.5032	11.695	11.331	11.487	11.711	11.967	10.605	9.9547	11.812	10.095
3.62...3.67	32.645	32.66	23.077	44.069	47.48	46.603	46.817	47.278	46.628	44.889	41.708	42.719
3.67...3.69	3.1351	6.2196	3.3513	8.6303	8.3217	8.4762	8.2068	8.4101	8.4972	5.7725	6.8199	5.7819
3.69...3.72	3.9669	4.8141	4.4466	7.6794	7.3665	7.4358	7.9297	7.7613	7.6212	6.391	7.5812	7.545
3.72...3.78	31.323	27.056	26.832	37.979	38.478	39.226	39.217	39.515	38.93	24.994	34.855	27.851
3.78...3.80	5.8572	9.0805	3.9752	9.4118	8.8366	9.0481	9.189	9.0496	9.4347	6.3661	7.8528	6.7542
3.80...3.86	20.328	27.901	16.242	25.13	24.54	25.049	24.741	24.664	25.145	19.1	24.247	21.594
3.86...3.91	10.313	10.015	7.4133	15.118	14.235	14.603	14.593	14.446	14.865	10.98	13.803	11.758
3.91...3.95	15.92	19.071	14.193	20.035	19.543	20.068	19.043	19.795	19.835	19.072	22.412	17.864
3.95...4.01	14.071	13.985	11.079	18.886	17.327	18.006	16.48	17.385	17.598	13.393	15.309	12.278
4.01...4.03	1.4319	1.1656	0.30849	3.0375	2.274	2.325	2.1896	2.2098	2.5107	1.6609	1.8862	1.398
4.03...4.07	6.1194	11.148	4.34	7.4058	6.358	6.2391	6.3706	6.2131	6.5858	8.9869	7.5074	8.576
4.07...4.12	7.6917	9.5844	6.1054	11.538	10.079	10.075	9.4318	9.6877	10.087	11.168	12.574	9.143
4.12...4.18	6.543	2.8835	0.82585	7.6559	4.9929	5.2804	5.1801	4.6948	5.7525	4.1668	6.218	2.0925
4.18...4.22	2.5278	0.018141	0	2.913	1.2896	1.4473	1.383	1.1726	1.4358	1.3768	1.9954	0.014075
4.22...4.27	4.9255	3.0918	2.5799	6.0811	3.928	3.8721	3.3673	3.486	3.5541	3.4745	5.4957	2.3989
4.27...4.33	3.2772	1.5895	1.4043	3.666	1.0611	1.0514	0.75743	0.81406	0.90785	3.0613	4.1334	1.7279
4.33...4.37	2.0691	0.04254	0	2.0531	0.019579	0.079016	0.026701	0	0	0.64783	1.2007	0.048352
4.37...4.40	0.75204	0	0.030296	1.2933	0.11734	0.051113	0	0.019645	0.016841	0.019329	0.51789	0.0045341
4.40...4.42	0.67515	0.17571	0.41292	1.0459	0.26946	0.20212	0.12223	0.0545	0.12962	0.55426	0.99331	0.32594
4.42...4.48	0.18282	0.018183	0	2.7271	0.73768	0.72014	0	0.2076	0.074103	0.087693	0.85846	0.013092
4.48...4.52	0.08033	0.0067549	0.016912	1.9863	1.0589	1.0096	0.49232	0.7384	0.53662	0	0.36414	0
4.52...4.55	0	0	0	0.98706	0.31269	0.28793	0	0	0	0.10164	0	0.014551
4.55...4.61	0.126	0.1935	0.012334	1.7479	1.2734	1.2049	0.63393	0.82971	0.53695	0.18772	0.020482	0
4.61...4.66	0.38551	0.33398	0.72547	0.86204	0.7506	0.77674	0.21745	0.64525	0.43806	1.0248	0.61603	1.1209
4.66...4.69	0	0	0	0	0	0	0	0	0	0	0.016385	0
4.69...4.70	0	0.009245	0	0.00056572	0	0.0087895	0.0011002	0.00034052	0.0085494	0.015355	0	0
4.89...4.93	0.0033347	0.080651	0.18453	0.54279	0.46593	0.47016	0.085379	0	0.10196	0.38558	0.32435	0.11345
4.93...4.96	0	0	0	0	0.00080871	0	0.016896	0	0	0	0	0
4.96...5.00	0	0	0	0	0	0	0	0	0	0	0	0.01069
5.00...5.03	0.024004	0.033646	0.020979	0.013361	0.021694	0.0036808	0	0	0	0.021991	0.015922	0.011823
5.03...5.07	0	0	0	0.051289	0.062775	0.077869	0.008352	0.0028825	0.012023	0	0	0
5.07...5.13	0.0049675	0	0.014368	0.052477	0.061823	0.061822	0.043882	0.044524	0.068024	0.0027872	0.0077744	0
5.13...5.15	0	0	0	0	0	0	0	0	0	0	0	0
5.15...5.17	0.0050506	0	0.013345	0.04758	0.0045679	0.032306	0	0.035463	0	0.042329	0.014523	0.024581
5.17...5.20	0.046767	0.12739	0.16416	0.47632	0.4364	0.50755	0.19305	0.36672	0.23571	0.17193	0	0.0044007
5.20...5.24	0.41966	0.96516	1.2588	1.5491	1.6672	1.6788	1.0276	1.2813	1.2016	1.1568	0.96951	1.6497
5.24...5.27	0.014038	0.24507	0	0.36115	0.40746	0.37662	0.020094	0.080627	0	0	0	0
5.27...5.33	0	3.735	4.5312	0.18518	0.78153	0.14116	0.039752	0.046796	0.027746	0.025951	0.79689	1.1745
5.33...5.36	0	0.10862	0.27752	0	0	0	0	0	0	0	0	0
5.36...5.41	0.020647	0.010354	0	0.1177	0.14775	0.14707	0.036566	0.17706	0.061574	0.0094255	0.13414	0.025165
5.41...5.43	0	0	0.0077594	0	0	0	0.0036009	0	0	0.0074093	0	0
5.43...5.49	0.011036	0.0050871	0	0	0	0	0	0	0.018158	0.013564	0.014598	0.051659
5.49...5.54	0	0	0	0	0	0	0	0	0	0	0	0
5.54...5.56	0.031646	0.033732	0.031131	0.025998	0.042433	0.080911	0.020364	0.023125	0.025939	0.20138	0.11148	0.15548
5.56...5.62	0	0.003656	0.0027396	0	0	0.0019186	0.01113	0	0	0	0	0
5.62...5.67	0.0033083	0	0	0	0	0	0	0.013378	0	0	0	0.0023493
5.67...5.69	0	0	0.014933	0	0	0.000073484	0	0	0.0061409	0	0	0
5.69...5.71	0.018862	0	0	0	0.004606	0.007237	0.042316	0.012024	0	0.011862	0.0069496	0
5.71...5.77	0	0.00095114	0	0	0.00050573	0	0	0	0	0	0.0024807	0.0093088
5.77...5.82	0.25262	1.0718	0.67201	0.86634	0.9617	0.9598	0.60311	0.81782	0.82976	1.2038	1.3647	1.1584
5.82...5.87	0	0	0	0	0	0	0	0	0	0	0	0.020386
5.87...5.92	0.17719	0.013985	0	0.082008	0.022871	0.083255	0.15613	0.032241	0.02543	0	0.01691	0.024094
5.92...5.94	0.38345	0.11468	0.03238	0	0	0	0	0	0	0	0	0
5.94...6.00	0.039063	0	0	0.012369	0.0099764	0.00086688	0	0	0	0.002072	0	0.016447
6.00...6.03	0	0	0	0	0	0	0	0	0	0	0.019738	0
6.03...6.07	0.038002	0.044562	0	0	0.00086807	0.0012522	0.020167	0.0048765	0	0.062137	0	0.00094196
6.07...6.12	0.087503	0.006173	0.02506	0.0064166	0	0	0	0.0083858	0.015948	0.034109	0	0
6.12...6.14	0	0	0	0	0	0	0.014474	0	0	0	0.0059029	0.0206
6.14...6.16	0	0.0098598	0.01623	0.0021311	0.0039985	0	0	0.00493	0	0.0077046	0	0
6.16...6.22	0	0	0	0.0055436	0.0057251	0.0011393	0.028783	0	0.0063938	0	0	0.02201
6.22...6.27	0	0	0	0	0	0	0	0	0	0	0	0.027267
6.27...6.31	0.018369	0	0.024983	0.0073497	0.012478	0.027831	0	0.0074576	0.02084	0.0041479	0.016351	0
6.31...6.35	0.00089445	0.0010903	0	0.0036129	0	0	0.016477	0	0	0	0	0.03162
6.35...6.39	0	0.030153	0.014214	0.12288	0.16668	0.10008	0	0	0.018461	0	0.011893	0
6.39...6.44	0.0037464	0	0.014053	0.0068296	0.060724	0	0.025887	0	0	0.0080196	0.016093	0
6.44...6.49	0	0	0	0	0.029363	0.0088535	0	0.0074993	0	0	0	0.017251
6.49...6.52	0.076627	0.083018	0.033957	0.075411	0.13016	0.11197	0.04728	0.10196	0.043069	0.11425	0.21829	0.10758
6.52...6.54	0	0	0.0071695	0	0	0	0.0012746	0	0	0	0	0
6.54...6.57	0	0.0084759	0	0	0.0024795	0	0	0.0036735	0	0	0	0
6.57...6.63	0.0061581	0	0.0018867	0.00074914	0	0	0	0.010729	0.003876	0.0065498	0	0.01035
6.63...6.69	0	0.012711	0	0.00062587	0.013073	0.0087691	0.025762	0	0.00023153	0	0	0.024087
6.69...6.72	0.003265	0	0.00031079	0	0	0	0	0	0	0	0.15722	0
6.72...6.76	0	0	0	0.019375	0.071505	0.0063756	0.012657	0.02286	0	0.0050265	0	0
6.76...6.78	0	0	0.025051	0	0.017551	0	0	0	0	0	0.032531	0.017851
6.78...6.81	0.0047407	0	0	0.079218	0.16503	0.052145	0.03957	0.043482	0.021304	0.010866	0.17215	0
6.81...6.83	0.011717	0.010068	0.013482	0.079342	0.19834	0.060067	0.040201	0	0.030668	0	0.25394	0
6.83...6.87	0.47309	0.015243	0	0.74139	0.99041	0.84067	0.86617	0.73256	0.70263	0.058765	0.43827	0.0088313
6.87...6.93	2.6507	2.4144	3.1285	3.4554	4.0113	4.0319	3.1091	3.2807	3.1311	1.6024	2.7789	2.3229
6.93...6.96	0	0	0	0	0.0058325	0	0	0	0	0	0	0
6.96...7.02	0	0.006936	0	0.21674	0.2623	0.28341	0.1896	0.19129	0.22782	0.022716	0	0
7.02...7.04	0.0028535	0	0.022218	0	0	0	0	0	0	0	0.0049582	0
7.04...7.08	0.41722	0.59876	0.61194	1.0421	1.1206	1.2227	1.0816	0.96474	0.85059	0.34693	0.78496	0.078407
7.08...7.10	0	0.007711	0	0	0	0.067266	0.39986	0	0	0	0	0
7.10...7.12	0.075259	0	0.0042504	0.6219	0.82038	0.78326	0.58167	0.03104	0	0	0.017494	0
7.12...7.14	0.00095695	0.0027718	0.024162	0.073816	0.16716	0.22011	0.78293	0.096846	0.14645	0.0096334	0.24136	0.061611
7.14...7.20	5.9817	4.6003	5.8249	4.1385	4.5978	4.9021	8.9755	7.3209	5.7284	4.0778	6.4209	5.6954
7.20...7.21	0	0	0.068336	0.079952	0.089724	0.1133	0.33873	0.23849	0.019466	0.11947	0.23457	0.015729
7.34...7.40	19.589	5.3405	13.713	4.3059	4.2145	4.3543	2.2579	1.5204	6.7899	0.69105	1.2254	26.809
7.40...7.45	4.1599	2.3994	5.3653	4.356	4.4084	4.503	2.3851	4.5206	5.7885	0.9756	4.5297	5.0048
7.45...7.49	2.1918	1.2485	2.5736	0.27929	0.23567	0.0091907	1.2799	0.18146	0.17707	0.94463	0	3.9779
7.49...7.55	1.2206	1.414	1.8853	1.7477	1.8563	1.7871	0.7746	1.3733	1.3346	1.417	2.2084	2.3502
7.55...7.57	0	0.01227	0.032937	0.0048644	0.014612	0.0098203	0	0	0.0044836	0	0	0
7.57...7.62	0	0	0	0	0	0	0	0	0	0	0	0
7.62...7.65	0.016776	0.010805	0.035889	0.013604	0.012766	0.017422	0.035741	0.020254	0.019821	0.023114	0.017816	0
7.65...7.70	0.01432	0	0	0.00069987	0.02031	0	0.0042081	0	0	0	0.02597	0.030453
7.70...7.75	0.24396	0.10985	0.446	0.46648	0.50058	0.50327	0.35493	0.41719	0.29312	0.096401	0.17484	0.050393
7.75...7.79	0	0	0	1.0517	1.1255	1.1548	0.014831	0	0	0	0	0
7.79...7.84	0.6926	0.75948	0.73202	0.13269	0.16545	0.14975	1.0277	1.0576	0.93682	0.426	0.84344	0.20944
7.84...7.87	0.75187	0.34238	0.3762	0.14497	0.14727	0.12947	0.26833	0.046851	0.021432	0.099795	0.013866	0
7.87...7.91	0.15718	0.0094909	0	0.88198	0.91125	0.94308	0	0	0	0	0	0
7.91...7.96	0.51297	0.98265	0.61123	0.0055981	0	0	0.73378	0.78858	0.72134	1.073	1.3981	1.1136
7.96...8.00	0	0	0	0.00020092	0.0096645	0.00053911	0.0068335	0.0092422	0	0	0	0.031903
8.00...8.03	0.1171	0.01314	0.0074222	0.0068232	0.0014967	0.0032717	0.002332	0	0.003219	0.028321	0.010797	0.067794
8.03...8.06	0	0	0	0	0	0	0	0.0021467	0	0	0	0.01961
8.06...8.08	0	0.0010485	0	0	0	0	0	0	0.021321	0.0039687	0.018036	0
8.08...8.14	0.013105	0	0	3.454	4.1233	3.9226	0	0	0	0	0	0.024025
8.14...8.16	0	0	0.0012874	0.057555	0.088636	0.13934	0	0.027159	0	0	0	0
8.16...8.19	0.44925	0.76879	0.50046	0.96814	1.079	1.1117	0.61789	0.87685	0.82241	0.91893	1.392	1.1869
8.19...8.22	0.50897	0.93583	0.51425	1.0333	1.0936	1.122	0.58559	0.88384	0.93909	0.98417	4.0379	1.1999
8.22...8.28	0.16179	0.21362	0	0.097903	0.15645	0.12081	2.5598	2.6028	2.1435	2.1761	0.15838	0.048922
8.28...8.34	2.6915	1.8605	1.9822	0.015998	0.0047124	0	0.24135	0	0.0090627	0.070406	0.017501	3.3265
8.34...8.37	0.14113	0.0099806	0	0	0	0	0	0	0	0	0	0
8.37...8.43	0	0	0	0	0	0	0.0088059	0.00058833	0	0	0	0.048767
8.43...8.46	0.0031162	0.054479	0.04201	0.069517	0.094222	0.054317	0.019371	0.024609	0.012728	0.019621	0.012517	0.00040828
8.46...8.51	0	0	0	0	0	0	0	0	0	0	0	0.023826
8.51...8.55	0	0.0024138	0	0.0012216	0.0023762	0	0.010326	0	0	0.0031124	0.0035343	0
8.55...8.57	0.018869	0	0.010863	0	0.0025647	0	0	0	0.0044706	0	0.0036536	0.0012418
8.57...8.61	0.00010942	0.094546	0.051125	0.12703	0.15717	0.11501	0.037849	0.060122	0.023539	0.079216	0.19525	0.093873
8.61...8.66	0.018794	0	0	0.0032276	0.0027524	0	0	0	0	0	0	0
8.66...8.70	0	0	0	0.0024172	0	0	0.020356	0.00023035	0	0	0	0.036833
8.70...8.75	0.0066244	0	0.016142	0	0	0.0028851	0	0.012388	0.0071457	0.00022421	0	0
8.75...8.81	0	0.013112	0	0.004465	0.0045541	0.00066719	0.0073524	0	0	0	0.011679	0.061085
8.81...8.87	0	0	0	0	0	0	0.0070856	0.013575	0.023997	0	0.0045285	0
8.87...8.92	0	0	0	0	0	0	0	0	0	0	0	0
8.92...8.94	0.027976	0.12801	0.060881	0.11452	0.15523	0.092702	0.036493	0.094116	0.049665	0.10243	0.064985	0.12229
8.94...8.97	0	0	0	0.0025668	0.0022688	0	0	0	0	0	0	0
8.97...8.99	0	0.012448	0	0	0.00172	0.0063283	0.014292	0	0	0	0	0.063064
8.99...9.00	0.0045628	0	0	0.0010346	0.0025189	0	0.00097918	0	0.002277	0	0	0
NMR_BINNED_DATA_END
#END