view test-data/frag4feature_output.tsv @ 25:bc86834acaed draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 25e4ea47403332a6efd413d13a52511eb4ab5110-dirty

"grpid"	"mz"	"mzmin"	"mzmax"	"rt"	"rtmin"	"rtmax"	"into"	"intf"	"maxo"	"maxf"	"i"	"sn"	"sample"	"cid"	"filename"	"precurMtchID"	"precurMtchScan"	"precurMtchRT"	"precurMtchMZ"	"precurMtchPPM"	"inPurity"	"pid"
"12"	112.050766766484	112.050651550293	112.087196350098	67.47903	55.2769038	80.361672	36223791.266206	133522503.549415	7158012.5	8555976.39592391	1	21.054952458659	1	9	"dataset_28.dat"	466	462	64.427298	112.050704956055	0.55162878935702	1	384
"12"	112.05085569128	112.050621032715	112.120460510254	67.634034	55.4140188	80.555406	36139265.8017591	133395720.51942	7426335.5	8522973.08164079	1	20.3803986860233	2	400	"dataset_27.dat"	472	468	65.376156	112.050743103027	1.00479600749392	1	1218
"14"	113.035371704924	113.034713745117	113.059936523438	83.64567	72.171048	96.141564	92812020.095242	366177037.564437	20943314	23904502.6814248	1	27.9839052693883	2	402	"dataset_27.dat"	596	594	81.344292	113.034736633301	5.61834418239318	1	1321
"14"	113.03541992282	113.034698486328	113.059997558594	83.441172	72.006432	95.851296	88462324.9597518	348004137.88132	18599380	22772249.3980656	1	27.431622141047	1	11	"dataset_28.dat"	604	600	81.93093	113.034736633301	6.04491512630164	1	499
"14"	113.035371704924	113.034713745117	113.059936523438	83.64567	72.171048	96.141564	92812020.095242	366177037.564437	20943314	23904502.6814248	1	27.9839052693883	2	402	"dataset_27.dat"	667	666	90.601068	113.034713745117	5.8208310964319	0.472133563046185	1380
"17"	116.070637437099	116.010871887207	116.070877075195	47.662548	35.592657	59.8657836	124086403.896805	465322432.631286	26501960	30360236.2301128	1	24.0791686953257	1	13	"dataset_28.dat"	277	276	40.9547952	116.070838928223	1.7359353575902	0.950632241095866	226
"17"	116.070557825043	116.010902404785	116.070907592773	47.814411	35.7440316	60.003786	130337063.119246	491415399.75458	27555850	32138223.0150013	1	24.6441102264885	2	404	"dataset_27.dat"	277	276	41.0984136	116.070816040039	2.22463819204545	0.989376188689562	1055
"17"	116.070637437099	116.010871887207	116.070877075195	47.662548	35.592657	59.8657836	124086403.896805	465322432.631286	26501960	30360236.2301128	1	24.0791686953257	1	13	"dataset_28.dat"	343	342	49.182402	116.070831298828	1.67020474130592	1	281
"17"	116.070557825043	116.010902404785	116.070907592773	47.814411	35.7440316	60.003786	130337063.119246	491415399.75458	27555850	32138223.0150013	1	24.6441102264885	2	404	"dataset_27.dat"	343	342	49.3156656	116.070823669434	2.29036885341395	1	1110
"17"	116.070557825043	116.010902404785	116.070907592773	47.814411	35.7440316	60.003786	130337063.119246	491415399.75458	27555850	32138223.0150013	1	24.6441102264885	2	404	"dataset_27.dat"	409	408	57.7060356	116.070785522461	1.96171554657148	1	1165
"17"	116.070637437099	116.010871887207	116.070877075195	47.662548	35.592657	59.8657836	124086403.896805	465322432.631286	26501960	30360236.2301128	1	24.0791686953257	1	13	"dataset_28.dat"	410	408	57.5697876	116.070770263672	1.14435981103166	1	337
"41"	132.101827805179	132.101791381836	132.10188293457	73.529172	61.39704	85.770306	2794252073.33772	10870343001.7354	432419872	700350921.737476	1	30.9237895882097	1	27	"dataset_28.dat"	475	474	65.949288	132.101821899414	0.0447061558976329	1	391
"41"	132.101827230045	132.101791381836	132.101928710938	73.692786	61.541034	85.969068	2879676651.25769	11246418620.7629	449625696	725219274.134578	1	31.3787225908562	2	419	"dataset_27.dat"	478	474	66.147648	132.101852416992	0.190663125216797	1	1223
"41"	132.101827805179	132.101791381836	132.10188293457	73.529172	61.39704	85.770306	2794252073.33772	10870343001.7354	432419872	700350921.737476	1	30.9237895882097	1	27	"dataset_28.dat"	541	540	74.297424	132.101867675781	0.301817188616646	1	446
"41"	132.101827230045	132.101791381836	132.101928710938	73.692786	61.541034	85.969068	2879676651.25769	11246418620.7629	449625696	725219274.134578	1	31.3787225908562	2	419	"dataset_27.dat"	547	546	75.21942	132.101806640625	0.155860220806146	1	1280
"41"	132.101827805179	132.101791381836	132.10188293457	73.529172	61.39704	85.770306	2794252073.33772	10870343001.7354	432419872	700350921.737476	1	30.9237895882097	1	27	"dataset_28.dat"	607	606	82.686066	132.101852416992	0.186309407111886	1	501
"41"	132.101827230045	132.101791381836	132.101928710938	73.692786	61.541034	85.969068	2879676651.25769	11246418620.7629	449625696	725219274.134578	1	31.3787225908562	2	419	"dataset_27.dat"	616	612	83.64567	132.10188293457	0.421678689232093	1	1338
"47"	137.045578757527	136.940017700195	137.045684814453	126.956946	114.406068	134.058318	1914326353.43818	7149870134.39123	339347296	497573209.284211	1	34.3024850459489	1	33	"dataset_28.dat"	901	900	121.56708	137.045669555664	0.662539701371764	1	746
"47"	137.045566562938	136.940063476562	137.045700073242	127.214454	114.599184	134.305698	1915210414.20602	7166794961.02732	329832000	497541013.247428	1	34.3761130337665	2	425	"dataset_27.dat"	903	900	121.840812	137.045669555664	0.751521765321877	1	1577
"47"	137.045578757527	136.940017700195	137.045684814453	126.956946	114.406068	134.058318	1914326353.43818	7149870134.39123	339347296	497573209.284211	1	34.3024850459489	1	33	"dataset_28.dat"	968	966	130.031346	137.045639038086	0.439857741094926	1	802
"47"	137.045566562938	136.940063476562	137.045700073242	127.214454	114.599184	134.305698	1915210414.20602	7166794961.02732	329832000	497541013.247428	1	34.3761130337665	2	425	"dataset_27.dat"	980	978	131.936568	137.045623779297	0.417498795184589	1	1641
"48"	138.05471057982	138.052383422852	138.055068969727	50.6971758	38.6530368	62.924034	614475732.29169	2503538675.26591	138406064	165068126.157169	1	29.1085169494046	1	36	"dataset_28.dat"	323	318	46.161033	138.054763793945	0.385456784658412	0.478583762215561	265
"48"	138.054722947516	138.05241394043	138.055023193359	50.8435338	38.7940218	63.078168	631841301.098288	2571978291.93546	140431120	169764319.737575	1	29.2064090414621	2	428	"dataset_27.dat"	323	318	46.2952926	138.054809570312	0.627452613468721	0.449226243412885	1094
"48"	138.054722947516	138.05241394043	138.055023193359	50.8435338	38.7940218	63.078168	631841301.098288	2571978291.93546	140431120	169764319.737575	1	29.2064090414621	2	428	"dataset_27.dat"	326	324	47.0589156	138.054809570312	0.627452613468721	0.682440289459046	1096
"48"	138.05471057982	138.052383422852	138.055068969727	50.6971758	38.6530368	62.924034	614475732.29169	2503538675.26591	138406064	165068126.157169	1	29.1085169494046	1	36	"dataset_28.dat"	329	324	46.926273	138.05485534668	1.04861948291394	0.926032123629646	270
"48"	138.05471057982	138.052383422852	138.055068969727	50.6971758	38.6530368	62.924034	614475732.29169	2503538675.26591	138406064	165068126.157169	1	29.1085169494046	1	36	"dataset_28.dat"	355	354	50.6971758	138.054748535156	0.27492966828249	1	291
"48"	138.054722947516	138.05241394043	138.055023193359	50.8435338	38.7940218	63.078168	631841301.098288	2571978291.93546	140431120	169764319.737575	1	29.2064090414621	2	428	"dataset_27.dat"	373	372	53.1376686	138.054824829102	0.73797971994302	1	1135
"48"	138.05471057982	138.052383422852	138.055068969727	50.6971758	38.6530368	62.924034	614475732.29169	2503538675.26591	138406064	165068126.157169	1	29.1085169494046	1	36	"dataset_28.dat"	422	420	59.113914	138.054809570312	0.717038133786177	0.982863487460479	347
"48"	138.054722947516	138.05241394043	138.055023193359	50.8435338	38.7940218	63.078168	631841301.098288	2571978291.93546	140431120	169764319.737575	1	29.2064090414621	2	428	"dataset_27.dat"	439	438	61.541034	138.054779052734	0.406398400520122	0.891554874127874	1190
"49"	138.048727400006	138.017150878906	138.049011230469	126.956946	114.406068	134.058318	107319384.367588	399179027.020378	19350734	27741080.6360187	1	28.7232463589518	1	35	"dataset_28.dat"	922	918	123.896694	138.048767089844	0.287506005368198	0.786277688323535	764
"49"	138.048704393746	138.017150878906	138.049011230469	126.441198	114.599184	134.305698	108751663.360006	405340993.012011	18617462	28101051.9066502	1	30.0539027494402	2	427	"dataset_27.dat"	928	924	124.941198	138.048797607422	0.67522311432569	0.796822033254558	1598
"51"	140.067802644286	140.001693725586	140.115173339844	46.161033	34.0415226	58.3416642	170011285.612119	677292518.463321	32451352	44271770.7647804	1	30.5218137136917	1	38	"dataset_28.dat"	289	288	42.4292958	140.068130493164	2.34064411904564	1	236
"51"	140.06784640212	140.001708984375	140.070831298828	46.2952926	34.1913918	58.478901	174282446.190803	693996060.277404	31643056	45478430.4205372	1	30.1832371220605	2	430	"dataset_27.dat"	304	300	44.0806488	140.068084716797	1.70142315424764	1	1078
"62"	146.117395027245	146.059860229492	146.117706298828	46.161033	34.0415226	58.3416642	350065739.303727	1430162604.80913	80693104	94428602.6029855	1	33.7767431593175	1	44	"dataset_28.dat"	287	282	41.6846646	146.117492675781	0.668288238413146	1	235
"62"	146.117397226717	146.059753417969	146.117523193359	46.2952926	34.1913918	58.478901	360505243.328733	1471239946.33743	77646192	97362749.5715012	1	33.2168018572526	2	435	"dataset_27.dat"	311	306	44.7995376	146.117416381836	0.131094031138655	1	1084
"62"	146.117395027245	146.059860229492	146.117706298828	46.161033	34.0415226	58.3416642	350065739.303727	1430162604.80913	80693104	94428602.6029855	1	33.7767431593175	1	44	"dataset_28.dat"	356	354	50.6971758	146.117309570312	0.584851189071573	0.983625855342406	292
"62"	146.117397226717	146.059753417969	146.117523193359	46.2952926	34.1913918	58.478901	360505243.328733	1471239946.33743	77646192	97362749.5715012	1	33.2168018572526	2	435	"dataset_27.dat"	379	378	53.9081688	146.117370605469	0.182190821016718	0.837758373655053	1140
"63"	147.043853467423	147.043792724609	147.044189453125	70.627524	58.478901	82.86993	61758656.3632741	246603023.759954	12443612	16291828.4445734	1	30.2777802208876	2	436	"dataset_27.dat"	497	492	68.393532	147.043838500977	0.101782193880233	0.988002630523906	1239
"63"	147.043849698061	147.043823242188	147.044082641602	70.461672	58.3416642	82.686066	59873868.2933967	239668812.755738	11942972	15832587.122642	1	29.5481682756099	1	45	"dataset_28.dat"	500	498	68.984166	147.043823242188	0.179918260382272	0.933453799267343	412
"63"	147.043853467423	147.043792724609	147.044189453125	70.627524	58.478901	82.86993	61758656.3632741	246603023.759954	12443612	16291828.4445734	1	30.2777802208876	2	436	"dataset_27.dat"	500	498	69.154026	147.043838500977	0.101782193880233	0.980928808379244	1241
"63"	147.043849698061	147.043823242188	147.044082641602	70.461672	58.3416642	82.686066	59873868.2933967	239668812.755738	11942972	15832587.122642	1	29.5481682756099	1	45	"dataset_28.dat"	503	498	68.984166	147.043853759766	0.0276224030842009	0.932823700733781	415
"66"	148.042683925669	148.039047241211	148.047088623047	64.427298	51.4450368	77.267322	54935005.6176214	205821097.687204	6768361.5	13161064.5222934	1	23.5355240524895	1	47	"dataset_28.dat"	436	432	60.634806	148.042587280273	0.652821154739326	1	359
"66"	148.042721958059	148.038986206055	148.047119140625	64.605414	52.3652958	77.474424	58447146.6341686	220334578.529236	8228312	14115433.6753709	1	23.8773430863274	2	438	"dataset_27.dat"	443	438	61.541034	148.042556762695	1.1158627820936	1	1194
"67"	149.026338801704	149.026229858398	149.026382446289	91.18956	78.808182	103.89993	1698958704.63737	6840419077.33234	349382368	436967869.633165	1	31.7357588758856	1	49	"dataset_28.dat"	731	726	98.311686	149.026306152344	0.219084497676219	0.840255867615411	605
"67"	149.026337703886	149.026229858398	149.026382446289	91.376562	78.998916	104.102922	1669137911.63194	6717727255.45554	353652704	429749452.797022	1	31.8010283688846	2	440	"dataset_27.dat"	731	726	98.516814	149.026321411133	0.109328008331516	0.835356522321461	1434
"68"	150.058153535588	150.058074951172	150.076126098633	62.924034	50.6971758	75.78993	495190716.923188	1984294720.42183	111902200	129689299.71264	1	32.4229937385997	1	52	"dataset_28.dat"	439	438	61.39704	150.058166503906	0.0864219478424959	1	361
"68"	150.05818311751	150.05810546875	150.112197875977	63.078168	51.5947758	75.972048	489162028.86604	1955440482.1514	110502712	127675119.950593	1	32.3166012953219	2	443	"dataset_27.dat"	445	444	62.309778	150.058135986328	0.314086049683708	1	1195
"68"	150.058153535588	150.058074951172	150.076126098633	62.924034	50.6971758	75.78993	495190716.923188	1984294720.42183	111902200	129689299.71264	1	32.4229937385997	1	52	"dataset_28.dat"	505	504	69.717042	150.058135986328	0.116949727777665	0.910779902061608	416
"68"	150.05818311751	150.05810546875	150.112197875977	63.078168	51.5947758	75.972048	489162028.86604	1955440482.1514	110502712	127675119.950593	1	32.3166012953219	2	443	"dataset_27.dat"	511	510	70.627524	150.05810546875	0.517457685211921	0.899887678060438	1250
"72"	153.040729486174	153.040313720703	153.127227783203	84.41529	72.171048	98.516814	392832685.737142	1503771745.57658	43307568	92667185.7719834	1	26.9622873990181	2	447	"dataset_27.dat"	592	588	80.555406	153.040512084961	1.42054480190384	1	1318
"72"	153.040721562011	153.040328979492	153.127136230469	84.215802	71.233434	97.518552	378180516.546928	1464012428.05327	43489432	90324120.3805518	1	27.0389212210695	1	56	"dataset_28.dat"	593	588	80.361672	153.040512084961	1.36876674481465	1	490
"72"	153.040729486174	153.040313720703	153.127227783203	84.41529	72.171048	98.516814	392832685.737142	1503771745.57658	43307568	92667185.7719834	1	26.9622873990181	2	447	"dataset_27.dat"	661	660	89.831544	153.04035949707	2.41758585847294	1	1375
"72"	153.040721562011	153.040328979492	153.127136230469	84.215802	71.233434	97.518552	378180516.546928	1464012428.05327	43489432	90324120.3805518	1	27.0389212210695	1	56	"dataset_28.dat"	663	660	89.6403	153.040344238281	2.46551196382807	1	548
"72"	153.040729486174	153.040313720703	153.127227783203	84.41529	72.171048	98.516814	392832685.737142	1503771745.57658	43307568	92667185.7719834	1	26.9622873990181	2	447	"dataset_27.dat"	727	726	98.516814	153.040557861328	1.12143248493311	1	1430
"75"	156.076172444314	156.026412963867	156.076797485352	47.662548	35.592657	62.153292	464536829.199627	1527695056.37191	54058324	95052219.9582988	1	19.4699191880937	1	59	"dataset_28.dat"	302	300	43.9150368	156.076675415039	3.222597768605	0.672380618767158	247
"75"	156.07623784067	156.026504516602	156.076812744141	48.5632728	36.4997796	62.309778	489345708.143109	1618269928.56375	57025944	100794751.690022	1	19.8260786354117	2	450	"dataset_27.dat"	302	300	44.0806488	156.076690673828	2.9013587500534	0.689159500011442	1076
"75"	156.076172444314	156.026412963867	156.076797485352	47.662548	35.592657	62.153292	464536829.199627	1527695056.37191	54058324	95052219.9582988	1	19.4699191880937	1	59	"dataset_28.dat"	305	300	43.9150368	156.076675415039	3.222597768605	0.71122543687701	250
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