view test-data/dimsPredictPuritySingle_output.tsv @ 9:f11c129a4227 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 20a48a1862267264f98b7c514287f9a5cba1143f
author computational-metabolomics
date Thu, 13 Jun 2024 11:40:53 +0000
parents 7f3183988100
children
line wrap: on
line source

"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
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104.106921012	1	1	1	NA	1	1	4330923.89364	"4330923.89364"	1	0.999122344752109	0.00660156470757468	0.660736369499631	0.00061829318393529	1
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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
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118.086249301	1	1	1	NA	1	1	2757662.51425	"2757662.51425"	1	1	0	0	0	1
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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