view test-data/dimsPredictPuritySingle_output.tsv @ 0:5d0461edc7fd draft

"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc-dirty"
author computational-metabolomics
date Wed, 27 Nov 2019 12:40:15 -0500
parents
children
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"mz"	"present"	"occurrence"	"purity"	"rsd_all"	"blank_flag"	"flags"	"FULL_SCAN.mzML"	"i"	"medianPurity"	"meanPurity"	"sdPurity"	"cvPurity"	"sdePurity"	"medianPeakNum"
58.0647876546	1	1	1	NA	1	1	113120.598252	"113120.598252"	0.613078515127758	0.626629067263995	0.149544695745243	23.8649471525777	0.0140061440232296	3
72.0804488318	1	1	1	NA	1	1	282356.694196	"282356.694196"	0.476393449015639	0.491371797539656	0.0959939418911048	19.5359079157077	0.00899065639730063	3
72.0807946804	1	1	1	NA	1	1	242795.036574	"242795.036574"	0.408868285818401	0.413678708258705	0.0963729445058641	23.2965687094523	0.00902615324445423	4
75.0913582568	1	1	1	NA	1	1	195736.137751	"195736.137751"	0.459383030656064	0.474810934372905	0.132551039182737	27.916593655915	0.0124145422608961	4
75.0916836387	1	1	1	NA	1	1	204270.938871	"204270.938871"	0.476040133259869	0.487345328966681	0.132269392840645	27.1407942128215	0.0123881636641073	4
84.0805289745	1	1	1	NA	1	1	132563.310059	"132563.310059"	0.538722764069125	0.556981810892634	0.209884767937749	37.682517423932	0.0196575095717612	5
84.0807820515	1	1	1	NA	1	1	140127.582831	"140127.582831"	0.5505876981432	0.572987236535537	0.193308605470024	33.7369828059049	0.0181050097139868	5
84.9112399606	1	1	1	NA	1	1	122855.946347	"122855.946347"	0.32276675677724	0.327703846067696	0.0947526802174731	28.9141190603846	0.00887440159010228	6
89.107296477	1	1	1	NA	1	1	175881.079205	"175881.079205"	0.727499843566072	0.723783787357409	0.179608084586012	24.8151571951861	0.0168218383668624	4
90.0548851707	1	1	1	NA	1	1	256381.32358	"256381.32358"	0.893273602686132	0.844876773288864	0.155850251606917	18.4465068201882	0.0145967134386475	4
100.075674626	1	1	1	NA	1	1	114153.352522	"114153.352522"	0.803585118260451	0.820058588023192	0.153657568870831	18.7373891469429	0.0143913498846557	2
104.106921012	1	1	1	NA	1	1	4330923.89364	"4330923.89364"	1	0.999122344752109	0.00660156470757468	0.660736369499631	0.00061829318393529	1
105.110335957	1	1	1	NA	1	1	153890.694869	"153890.694869"	0.391125240899743	0.403016832885059	0.0903953152029485	22.4296624425931	0.00846629696525365	3
110.07127541	1	1	1	NA	1	1	307519.792215	"307519.792215"	0.930011674739557	0.922043618437714	0.0720614140946035	7.81540185882989	0.00674916980035187	1
112.895720178	1	1	1	NA	1	1	135570.753005	"135570.753005"	0.81320227648801	0.792925322586529	0.149214233550325	18.8181950178596	0.0139751934029272	2
114.060611798	1	1	1	NA	1	1	198789.380033	"198789.380033"	0.580515437078976	0.571866534143408	0.0973226619466432	17.018422330382	0.00911510243245877	2
115.02403131	1	1	1	NA	1	1	188274.209762	"188274.209762"	0.500884725143099	0.500148229907369	0.0804970602595476	16.0946406377278	0.00753924045131289	4
116.070609913	1	1	1	NA	1	1	274092.595943	"274092.595943"	0.913492312956886	0.904724725504385	0.0778724998374355	8.6073142075366	0.00729342784601398	2
117.102272268	1	1	1	NA	1	1	123295.1875	"123295.1875"	0.213991552935658	0.217964963149686	0.0546746046495807	25.0841253839651	0.00512074589686358	2
118.086249301	1	1	1	NA	1	1	2757662.51425	"2757662.51425"	1	1	0	0	0	1
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120.065520547	1	1	1	NA	1	1	116547.678977	"116547.678977"	0.27910970300615	0.282957310720395	0.0609596603169771	21.5437657934255	0.00570939529317204	10
122.924530119	1	1	1	NA	1	1	120229.772702	"120229.772702"	0.357208113463262	0.353958143149677	0.0731944766617116	20.678850897565	0.00685529083275065	3
127.097842781	1	1	1	NA	1	1	168682.057956	"168682.057956"	0.734310304262316	0.747504411490134	0.163073130903308	21.8156747166515	0.0152731980654243	4
130.049888813	1	1	1	NA	1	1	174680.456305	"174680.456305"	0.241869237375463	0.239556543016276	0.0354736465579429	14.8080474493793	0.00332241140512331	4
130.086277477	1	1	1	NA	1	1	453421.277412	"453421.277412"	0.639765885779089	0.636276372943821	0.0498574121241801	7.83581070180366	0.00466957447976882	3
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140.068255642	1	1	1	NA	1	1	1875073.24452	"1875073.24452"	1	1	0	0	0	1
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146.117592527	1	1	1	NA	1	1	683848.086623	"683848.086623"	0.925901262316899	0.918556538943322	0.0521105684789814	5.67309319238288	0.00488060190708702	3
147.076446266	1	1	1	NA	1	1	264800.860746	"264800.860746"	0.172362837454384	0.175120120251035	0.0223924742850442	12.7869226294183	0.00209724737015803	4
147.112849453	1	1	1	NA	1	1	1121145.55482	"1121145.55482"	0.783533336429815	0.783355616268719	0.0344663633930566	4.39983612515946	0.00322807069307555	2
148.060459626	1	1	1	NA	1	1	116024.97526	"116024.97526"	0.557301064663345	0.565831250387605	0.12134896710294	21.4461408803091	0.0113653720838708	3
150.013744188	1	1	1	NA	1	1	111347.68716	"111347.68716"	0.490624857037799	0.504229977853249	0.109587780432655	21.7336900315255	0.0102638360275954	4
155.042743683	1	1	1	NA	1	1	114733.116039	"114733.116039"	0.276621194145273	0.283655602789896	0.0647382854944427	22.8228474451796	0.006063295966022	3
156.042187741	1	1	1	NA	1	1	831094.136239	"831094.136239"	0.420057487117361	0.421262641148021	0.0627656263657944	14.8994048450976	0.00587853951092409	2
156.076788517	1	1	1	NA	1	1	1114541.30866	"1114541.30866"	0.579942512882639	0.5786094394644	0.0625175630465952	10.8047948724213	0.00585530625241051	2
158.996498108	1	1	1	NA	1	1	113123.795573	"113123.795573"	0.367293082533401	0.366160623065683	0.0694338614111458	18.9626784086749	0.00653178824019194	3
160.036930553	1	1	1	NA	1	1	499082.84841	"499082.84841"	0.944409693306617	0.949114405865811	0.0511014065723472	5.38411452365755	0.00478608523475279	2
161.029515736	1	1	1	NA	1	1	113125.906367	"113125.906367"	0.492811574508151	0.517996454832356	0.143373212135219	27.6784157107059	0.0134281316246738	4
162.05015772	1	1	1	NA	1	1	120333.465791	"120333.465791"	0.0380465178902104	0.0382679557497186	0.0085712057226529	22.3978667131074	0.000802766966798452	2
162.112529688	1	1	1	NA	1	1	2485050.31798	"2485050.31798"	1	0.990775975496719	0.0201652619058549	2.03529984623872	0.00188864981878526	2
163.074508947	1	1	1	NA	1	1	208610.26369	"208610.26369"	0.447439005780424	0.442891266214141	0.0902802098272647	20.3842831670592	0.00845551635908343	3
163.115825653	1	1	1	NA	1	1	158881.512876	"158881.512876"	0.342668609266461	0.342019798773431	0.0643759283881164	18.822281230205	0.0060293581135709	3
164.029436874	1	1	1	NA	1	1	119773.759668	"119773.759668"	1	0.891463589734376	0.125671050777136	14.0971602457237	0.0117701723084428	1
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169.094771268	1	1	1	NA	1	1	311290.046327	"311290.046327"	0.429533261396881	0.433613200892553	0.0454198636859872	10.4747419111075	0.00425395998922702	2
175.119016145	1	1	1	NA	1	1	7601661.33772	"7601661.33772"	1	1	0	0	0	1
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296.065981413	1	1	1	NA	1	1	2118414.36513	"2118414.36513"	1	1	0	0	0	1
297.069291673	1	1	1	NA	1	1	164842.79237	"164842.79237"	0.640424674805916	0.652908708298409	0.128668878850103	19.7070244606533	0.012050944632313	3
298.064070296	1	1	1	NA	1	1	138663.554301	"138663.554301"	0.487445588689514	0.499865711270908	0.102282113256446	20.4619182612855	0.00962189184027137	4
304.161525258	1	1	1	NA	1	1	419869.29057	"419869.29057"	1	0.972356491662697	0.0385307174146733	3.96261224613074	0.00360873232406467	1
312.166592178	1	1	1	NA	1	1	148686.24328	"148686.24328"	1	0.924022031662414	0.10845341092504	11.7371022777369	0.0102024386904567	1
326.143410047	1	1	1	NA	1	1	125171.338949	"125171.338949"	1	0.935622006691498	0.104469097443653	11.1657375196925	0.00978442744144706	3
348.079411021	1	1	1	NA	1	1	224606.194901	"224606.194901"	0.763842231385576	0.7670558334405	0.0752246033459717	9.80692670161498	0.00704542961756979	3
364.053454491	1	1	1	NA	1	1	111448.034526	"111448.034526"	1	0.869279361784151	0.156249338921548	17.9745828315599	0.0146340913902941	1