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view test-data/peaklist_in.tsv @ 4:b37f97bda760 draft

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planemo upload for repository https://github.com/computational-metabolomics/dma-tools-galaxy commit d4159f1962ef3fe37dd4f3047e4050afe013c15a-dirty
author tomnl
date Thu, 03 May 2018 05:20:17 -0400
parents defa57c7775e
children
line wrap: on
line source

"mz"	"present"	"occurrence"	"purity"	"rsd_all"	"blank_flag"	"flags"	"A02_Polar_Daph_WAX1_Phenyl_LCMS_Pos_DIMS.mzML"	"i"	"medianPurity"	"meanPurity"	"sdPurity"	"cvPurity"	"sdePurity"	"medianPeakNum"
58.0647876546	1	1	1	NA	1	1	113120.598252	"113120.598252"	0.650297101971366	0.661675137604648	0.144567540128869	21.8487187915542	0.0135399906899966	3
72.0804488318	1	1	1	NA	1	1	282356.694196	"282356.694196"	0.480275416705184	0.499848378822793	0.0926487967352662	18.5353800593424	0.0087156656519495	2
72.0807946804	1	1	1	NA	1	1	242795.036574	"242795.036574"	0.41955367613116	0.422328382104617	0.101202826796198	23.9630654922759	0.00947851316692791	4
75.0913582568	1	1	1	NA	1	1	195736.137751	"195736.137751"	0.466120134592037	0.476670534059967	0.122540961673002	25.7076854802159	0.011579032500195	3
75.0916836387	1	1	1	NA	1	1	204270.938871	"204270.938871"	0.483213272928783	0.496497104650442	0.134595991037886	27.1091190214791	0.0126060695501861	4
84.0805289745	1	1	1	NA	1	1	132563.310059	"132563.310059"	0.53345520994059	0.562786151325207	0.208164022455004	36.9881209700763	0.0196696512616716	5
84.0807820515	1	1	1	NA	1	1	140127.582831	"140127.582831"	0.550129098951634	0.582337931336116	0.195060472566797	33.4960960072188	0.0184314821796601	5
84.9112399606	1	1	1	NA	1	1	122855.946347	"122855.946347"	0.333650592042918	0.337710194518914	0.0973721911651931	28.8330624143298	0.00911974126879402	6
84.9597008445	1	1	1	NA	0	0	128861.050071	"128861.050071"	0.352660707058722	0.344859541361498	0.106105153885631	30.7676433909093	0.00993765816649743	5
86.9926795566	1	1	1	NA	0	0	221315.525773	"221315.525773"	0.710098169117521	0.676837913526819	0.154073099439907	22.7636626673399	0.0144302678881832	2
89.107296477	1	1	1	NA	1	1	175881.079205	"175881.079205"	0.757302332157471	0.739989200751446	0.179117006014492	24.2053540555189	0.0167758446446166	3
90.0548851707	1	1	1	NA	1	1	256381.32358	"256381.32358"	0.915491637979846	0.862066025432093	0.155052439900442	17.9861443701745	0.0145219915261877	3
90.9765716687	1	1	1	NA	0	0	250976.822574	"250976.822574"	0.925647076305459	0.893251317327528	0.122441790779374	13.7074290744626	0.0114677243988616	3
98.9753118816	1	1	1	NA	0	0	204068.250069	"204068.250069"	0.827252644991205	0.817193501044684	0.106454070177663	13.0267886420504	0.00997033717135208	2
100.075674626	1	1	1	NA	1	1	114153.352522	"114153.352522"	0.83592687633671	0.842889540139519	0.138568714417102	16.4397240466604	0.0129781491852174	2
101.00833759	1	1	1	NA	0	0	548839.587993	"548839.587993"	0.87546372950775	0.876016748649718	0.0342010091505568	3.90415014362154	0.00320321799121871	2
102.97027295	1	1	1	NA	0	0	198104.292219	"198104.292219"	0.626783617787345	0.628082327947159	0.0854473276151615	13.6044788737234	0.00800287546819329	2
104.106921012	1	1	1	NA	1	1	4330923.89364	"4330923.89364"	1	0.999122382402849	0.00660128180324065	0.660708029317173	0.000618266687516761	1
105.003296082	1	1	1	NA	0	0	142544.562782	"142544.562782"	0.406114805750659	0.417672728956591	0.0913224363068101	21.8645915750706	0.00855312981240313	3
105.110335957	1	1	1	NA	1	1	153890.694869	"153890.694869"	0.397878088026332	0.410181001561755	0.0917678920149889	22.3725359452497	0.00859485056199997	3
110.07127541	1	1	1	NA	1	1	307519.792215	"307519.792215"	0.941006379235868	0.935146626988776	0.0643768862470125	6.88414890125944	0.00602944782527606	1
112.895720178	1	1	1	NA	1	1	135570.753005	"135570.753005"	0.829216936536354	0.812636722136641	0.140960256791166	17.3460358055865	0.0132021376507519	2
114.060611798	1	1	1	NA	1	1	198789.380033	"198789.380033"	0.587654559853229	0.581625354213572	0.0975252976340506	16.7677177288663	0.00913408100343336	2
114.091348217	1	1	1	NA	0	0	124409.253192	"124409.253192"	0.355032840058285	0.362720879644043	0.0836017647425517	23.0485117990987	0.00783002266810646	3
115.02403131	1	1	1	NA	1	1	188274.209762	"188274.209762"	0.513198212496667	0.513431383418797	0.0783785534672811	15.2656335390681	0.00734082411097527	4
115.036614475	1	1	1	NA	0	0	127907.266378	"127907.266378"	0.324359405402982	0.325959326140579	0.0580788048976741	17.8178073888354	0.00543957846207829	4
116.070609913	1	1	1	NA	1	1	274092.595943	"274092.595943"	0.923865189068942	0.918830079326919	0.0708250956107547	7.70818208984157	0.00663337796529498	2
116.985932133	1	1	1	NA	0	0	339563.880208	"339563.880208"	0.736239003902325	0.734968161025745	0.0687695710590068	9.35680954710063	0.00644086045224249	2
117.102272268	1	1	1	NA	1	1	123295.1875	"123295.1875"	0.219765910215446	0.222248756194198	0.0556343325520559	25.032460700677	0.00521063265050732	2
118.086249301	1	1	1	NA	1	1	2757662.51425	"2757662.51425"	1	1	0	0	0	1
119.018937696	1	1	1	NA	0	0	293270.206003	"293270.206003"	0.678891274567318	0.687365227994183	0.0721154339315699	10.491574347165	0.00675422922163654	2
119.089606756	1	1	1	NA	1	1	120996.805775	"120996.805775"	0.249486912941528	0.24847021493129	0.0616833481586703	24.8252484410366	0.00577717486962644	2
120.065520547	1	1	1	NA	1	1	116547.678977	"116547.678977"	0.280673692677218	0.288629826580862	0.0612246895541415	21.2121838825237	0.00573421755549029	10
122.924530119	1	1	1	NA	1	1	120229.772702	"120229.772702"	0.371026961803689	0.370126510457238	0.0747097394177748	20.1849198333515	0.00699720819256535	3
123.044065449	1	1	1	NA	0	0	113950.890185	"113950.890185"	0.344445937760475	0.343644077856044	0.06428958778518	18.7081902258509	0.00602127157520354	3
127.097842781	1	1	1	NA	1	1	168682.057956	"168682.057956"	0.760036610596117	0.772396214538335	0.152956595264434	19.8028670241291	0.0143256976912512	4
130.049888813	1	1	1	NA	1	1	174680.456305	"174680.456305"	0.246135268323487	0.244019295946869	0.0358828604436615	14.7049274543741	0.00336073779704993	4
130.086277477	1	1	1	NA	1	1	453421.277412	"453421.277412"	0.64682268990575	0.640699704090661	0.0473046186487518	7.3832746209694	0.00443048346487037	3
133.034606664	1	1	1	NA	0	0	160509.307453	"160509.307453"	0.577511479221656	0.57642006152746	0.0863925241729566	14.9877719286911	0.00809140123671197	3
134.018873266	1	1	1	NA	1	1	114568.315878	"114568.315878"	0.775530750233624	0.774458257745816	0.143171481899996	18.4866621884463	0.0134092378570661	3
138.055002848	1	1	1	NA	1	1	1378587.42544	"1378587.42544"	0.939777143694279	0.940567128676653	0.0346544331462571	3.68441890958009	0.00324568503931908	2
139.05833172	1	1	1	NA	1	1	109961.307651	"109961.307651"	0.409203044713343	0.425142604793386	0.0907144202020262	21.3374098900562	0.00849618388670776	6
140.068255642	1	1	1	NA	1	1	1875073.24452	"1875073.24452"	1	1	0	0	0	1
144.032332934	1	1	1	NA	1	1	156621.003906	"156621.003906"	0.900310483623927	0.896240825444777	0.106328038928419	11.8637799026452	0.0099585332633663	1
146.117592527	1	1	1	NA	1	1	683848.086623	"683848.086623"	0.926768818620773	0.921116018658565	0.0507228608197572	5.50667448967239	0.00475063117666176	3
147.076446266	1	1	1	NA	1	1	264800.860746	"264800.860746"	0.176029459327267	0.177734760678407	0.0228929606540298	12.8804070552368	0.00214412221336623	4
147.112849453	1	1	1	NA	1	1	1121145.55482	"1121145.55482"	0.783967167495454	0.784009740571401	0.0340165089475682	4.33878652104199	0.00318593796398341	2
148.060459626	1	1	1	NA	1	1	116024.97526	"116024.97526"	0.570580018375097	0.578742805210666	0.119192284406969	20.5950351924604	0.0111633802425577	3
150.013744188	1	1	1	NA	1	1	111347.68716	"111347.68716"	0.542245990357787	0.549552301281277	0.106412972458828	19.3635750793377	0.0099664880173172	4
155.042743683	1	1	1	NA	1	1	114733.116039	"114733.116039"	0.28091849963284	0.287443020496775	0.0651167939106395	22.6538093699757	0.00609874652723942	3
155.067898667	1	1	1	NA	0	0	228083.781798	"228083.781798"	0.652206354900575	0.650792229132364	0.0699657923578053	10.7508647500422	0.00655289684183913	3
156.042187741	1	1	1	NA	1	1	831094.136239	"831094.136239"	0.423638246016194	0.424820666261804	0.0628137767412167	14.7859512800883	0.00588304920676837	2
156.076788517	1	1	1	NA	1	1	1114541.30866	"1114541.30866"	0.580448560697185	0.579107879944027	0.0624983718741941	10.7921812219573	0.00585350883443266	2
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168.076780942	1	1	1	NA	1	1	126403.997862	"126403.997862"	1	0.923881784718535	0.0973936978748585	10.5417921952569	0.00912175555670666	2
169.058389363	1	1	1	NA	1	1	382921.811404	"382921.811404"	0.543397423776353	0.543970273741105	0.0420512906614076	7.73043908671769	0.00393846421921721	2
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235.056798165	1	1	1	NA	1	1	405245.252467	"405245.252467"	0.894502280900514	0.89756007846862	0.067048262201925	7.47005841840916	0.00627964510695321	3
237.144275788	1	1	1	NA	1	1	113584.923135	"113584.923135"	0.725630659643851	0.743528332766996	0.1749513985605	23.5298899652457	0.0164580431578758	2
238.04512725	1	1	1	NA	1	1	137101.655687	"137101.655687"	1	0.955254306822289	0.070437171531666	7.37365652566168	0.00659704554645043	2
239.089026602	1	1	1	NA	0	0	195155.207648	"195155.207648"	0.174971389856753	0.17418668740173	0.0220724301358849	12.6717089951764	0.0020672724892398	2
239.161804467	1	1	1	NA	0	0	948471.314145	"948471.314145"	0.829793808571166	0.830025889457648	0.0217769040825971	2.62364154650965	0.00203959393839359	2
240.16516319	1	1	1	NA	0	0	124114.235779	"124114.235779"	1	0.915468676901479	0.107899195596199	11.7862247304187	0.0101056855676478	1
242.925409016	1	1	1	NA	1	1	224849.671532	"224849.671532"	1	0.941709234329713	0.0729709477987395	7.74877691952108	0.00683435543659679	2
244.165571621	1	1	1	NA	1	1	161038.253836	"161038.253836"	0.773003596819752	0.792015027822187	0.12568509517997	15.8690290922342	0.0117714876872854	4
249.09581248	1	1	1	NA	1	1	463754.661458	"463754.661458"	0.849385919739648	0.842945231519965	0.0479453365816815	5.68783531703814	0.00449049219739116	2
255.135716622	1	1	1	NA	1	1	217409.046327	"217409.046327"	0.7248835855647	0.726836135541731	0.0755464212304099	10.3938725025144	0.0070755706240176	2
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259.113428484	1	1	1	NA	1	1	116684.024123	"116684.024123"	0.422819663327365	0.428580547237999	0.112490967126785	26.2473338679827	0.010582260028082	4
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262.139666583	1	1	1	NA	1	1	112895.448374	"112895.448374"	1	0.879654909030516	0.139054458283765	15.8078420135255	0.0130236432665753	4
263.013036178	1	1	1	NA	1	1	109641.587791	"109641.587791"	0.367742999369338	0.371525704181262	0.0735675732915281	19.8014760388249	0.00689023453373416	5
263.200494221	1	1	1	NA	0	0	161257.532785	"161257.532785"	0.595237097821558	0.587109408702873	0.0775268267898019	13.20483467657	0.007261052598828	5
265.069706061	1	1	1	NA	1	1	117335.705028	"117335.705028"	0.555694881196493	0.570564518166059	0.129812441891704	22.7515798404279	0.0121580491242543	3
271.077737641	1	1	1	NA	1	1	450346.351974	"450346.351974"	0.896398380147996	0.897264000554858	0.0463581998054632	5.16661760382628	0.00434184321882661	2
276.155374087	1	1	1	NA	1	1	136931.070613	"136931.070613"	0.65997971069566	0.658188880027101	0.0857125794104296	13.0224897459374	0.00802771857498776	3
280.092071266	1	1	1	NA	1	1	4695554.13158	"4695554.13158"	1	1	0	0	0	1
281.095366093	1	1	1	NA	1	1	340729.456277	"340729.456277"	1	0.965016765556465	0.0517255512740932	5.36006762994074	0.00484454174195571	1
285.182496188	1	1	1	NA	0	0	1029922.30702	"1029922.30702"	0.949761261292758	0.966109832910538	0.0309900664627356	3.20771670125474	0.00290248565489718	2
286.185822336	1	1	1	NA	0	0	183219.009046	"183219.009046"	0.809015470317492	0.824877636631417	0.113003579557653	13.6994354725302	0.0105837549271641	2
287.051676968	1	1	1	NA	1	1	242733.36705	"242733.36705"	0.77612030361104	0.773355058723909	0.0826310446378363	10.6847487070406	0.00773910640039711	2
290.145887292	1	1	1	NA	1	1	113405.155344	"113405.155344"	1	0.925854656211471	0.106284520076923	11.4796117688528	0.00995445734948162	4
292.197944568	1	1	1	NA	1	1	284733.869866	"284733.869866"	1	0.951055697019028	0.0793683631106588	8.34529074999809	0.00743352827779069	1
295.035845285	1	1	1	NA	1	1	165469.133189	"165469.133189"	1	0.951010673818338	0.116444204586892	12.2442584287056	0.0109541493257218	1
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"	0.641498094410546	0.654887805736813	0.129155049829558	19.7217063286507	0.0120964787164491	3
298.064070296	1	1	1	NA	1	1	138663.554301	"138663.554301"	0.517646393957481	0.526560665866796	0.101822108837017	19.3372037520887	0.0095786182645808	4
304.161525258	1	1	1	NA	1	1	419869.29057	"419869.29057"	1	0.976282768886854	0.0353613150948901	3.62203617863794	0.00331189059967436	1
309.2036181	1	1	1	NA	0	0	179366.074082	"179366.074082"	0.760888136505865	0.774192834178707	0.0928432623218866	11.9922657796721	0.00869556821916363	3
312.166592178	1	1	1	NA	1	1	148686.24328	"148686.24328"	1	0.926831333555935	0.106584240433836	11.4998529478831	0.0100266019216924	1
326.143410047	1	1	1	NA	1	1	125171.338949	"125171.338949"	1	0.939079354233213	0.100316936011691	10.682476998294	0.00939554189298983	3
348.079411021	1	1	1	NA	1	1	224606.194901	"224606.194901"	0.768822745346824	0.771694346446938	0.0733526595617952	9.50540325966208	0.00687010601873597	3
360.323661403	1	1	1	NA	0	0	113707.860095	"113707.860095"	1	0.950762290878889	0.0846216937949576	8.90040492842149	0.0079255477760368	1
364.053454491	1	1	1	NA	1	1	111448.034526	"111448.034526"	1	0.873168413230695	0.151846186023037	17.3902518371239	0.0142216983371971	1