view test-data/filterFragSpectra_output_frag.tsv @ 5:4b627470dea2 draft

"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit b1b879e29d5d6c97fdc3636aa6e900ad03695f9e"

"grpid"	"pid"	"precursorScanNum"	"acquisitionNum"	"fileid"	"mz"	"i"	"snr"	"ra"	"purity_pass_flag"	"intensity_pass_flag"	"ra_pass_flag"	"snr_pass_flag"	"pass_flag"
"12"	384	462	466	1	112.050888061523	440629.6875	1	100	1	1	1	1	1
"12"	1218	468	472	2	112.050880432129	565117.25	1.99119365130368	100	1	1	1	1	1
"12"	1218	468	472	2	126.53768157959	2499.31469726562	0.00880634869631973	0.442264803855417	1	1	1	1	1
"14"	499	600	604	1	113.034782409668	13262784	1	100	1	1	1	1	1
"14"	1321	594	596	2	112.999992370605	67035.0703125	0.0166921251649536	0.84163055956917	1	1	1	1	1
"14"	1321	594	596	2	113.034805297852	7964904.5	1.98330787483505	100	1	1	1	1	1
"14"	1380	666	667	2	111.010963439941	2912.13012695312	0.364994224943897	1.32389973883045	0	1	1	1	0
"14"	1380	666	667	2	113.000129699707	40987.0078125	5.13714033958542	18.6333324998714	0	1	1	1	0
"14"	1380	666	667	2	113.008010864258	31639.541015625	3.9655678994885	14.3838284215434	0	1	1	1	0
"14"	1380	666	667	2	113.034889221191	219966.0625	27.5696273848001	100	0	1	1	1	0
"14"	1380	666	667	2	113.060173034668	14124.5009765625	1.77030594853728	6.4212182625047	0	1	1	1	0
"14"	1380	666	667	2	113.070793151855	3284.5654296875	0.411673709972784	1.49321463154686	0	1	1	1	0
"14"	1380	666	667	2	113.107765197754	7978.56494140625	1	3.62717996163897	0	1	1	1	0
"14"	1380	666	667	2	122.0078125	3665.08813476562	0.459366836227022	1.66620618340414	0	1	1	1	0
"14"	1380	666	667	2	133.994140625	1813.58288574219	0.22730690281535	0.824483043034053	0	1	1	1	0
"17"	226	276	277	1	116.016784667969	3725.93701171875	0.944392526313953	3.81632335062543	1	1	1	1	1
"17"	226	276	277	1	116.070854187012	97631.5859375	24.7461349458028	100	1	1	1	1	1
"17"	226	276	277	1	116.107086181641	3945.32666015625	1	4.04103510382582	1	1	1	1	1
"17"	281	342	343	1	103.129020690918	4419.71240234375	0.875029738597127	0.247995978070777	1	1	1	1	1
"17"	281	342	343	1	116.016410827637	5682.14404296875	1.12497026140287	0.318832707016821	1	1	1	1	1
"17"	281	342	343	1	116.070899963379	1782171	352.840294187108	100	1	1	1	1	1
"17"	281	342	343	1	130.027648925781	4081.13793945312	0.807997611438414	0.228998111822778	1	1	1	1	1
"17"	337	408	410	1	116.016830444336	14364.7841796875	1	9.61039843987572	1	1	1	1	1
"17"	337	408	410	1	116.070922851562	149471.265625	10.4053958455122	100	1	1	1	1	1
"17"	337	408	410	1	116.107421875	8359.9033203125	0.581972079478493	5.59298356467135	1	1	1	1	1
"17"	1055	276	277	2	107.270111083984	1726.61291503906	0.649700011708406	1.71161687794708	1	1	1	1	1
"17"	1055	276	277	2	116.016410827637	2890.4951171875	1.0876524177032	2.86539049089055	1	1	1	1	1
"17"	1055	276	277	2	116.070892333984	100876.1328125	37.9582615759	100	1	1	1	1	1
"17"	1055	276	277	2	116.107200622559	2424.61303710938	0.912347582296798	2.40355470566664	1	1	1	1	1
"17"	1110	342	343	2	116.070892333984	1847702.625	1	100	1	1	1	1	1
"17"	1165	408	409	2	116.016609191895	4434.369140625	0.3899207482971	2.67737692752761	1	1	1	1	1
"17"	1165	408	409	2	116.070899963379	165623.640625	14.5635358356945	100	1	1	1	1	1
"17"	1165	408	409	2	116.107322692871	11372.48828125	1	6.86646437569818	1	1	1	1	1
"41"	391	474	475	1	117.877166748047	5004.6640625	0.0359516370207851	1.83048634129615	1	1	1	1	1
"41"	391	474	475	1	132.101867675781	273406.25	1.96404836297921	100	1	1	1	1	1
"41"	446	540	541	1	130.186950683594	121726.4453125	0.0594542760356096	3.06379155623032	1	1	1	1	1
"41"	446	540	541	1	132.102035522461	3973065.5	1.94054572396439	100	1	1	1	1	1
"41"	501	606	607	1	132.102142333984	77799.46875	1	100	1	1	1	1	1
"41"	1223	474	478	2	132.101989746094	402822.6875	52.2082523480178	100	1	1	1	1	1
"41"	1223	474	478	2	144.278900146484	7715.68994140625	1	1.91540600389005	1	1	1	1	1
"41"	1223	474	478	2	146.682891845703	7014.509765625	0.909122815832922	1.74133929971981	1	1	1	1	1
"41"	1280	546	547	2	104.964813232422	111113.6796875	0.0646107352310741	3.33838450007049	1	1	1	1	1
"41"	1280	546	547	2	132.102066040039	3328366.75	1.93538926476893	100	1	1	1	1	1
"41"	1338	612	616	2	115.43724822998	2424.57958984375	0.0697293230887619	3.61241166447913	1	1	1	1	1
"41"	1338	612	616	2	132.102035522461	67118.03125	1.93027067691124	100	1	1	1	1	1
"47"	746	900	901	1	110.03524017334	25444.263671875	11.2125915329094	4.06254758752812	1	1	1	1	1
"47"	746	900	901	1	112.051010131836	2055.68725585938	0.905885185619913	0.328220435446714	1	1	1	1	1
"47"	746	900	901	1	119.035636901855	19219.568359375	8.46953844809848	3.06868424563677	1	1	1	1	1
"47"	746	900	901	1	127.993309020996	1960.09631347656	0.863760870096131	0.312957948098884	1	1	1	1	1
"47"	746	900	901	1	136.124038696289	2269.25805664062	1	0.362320126939825	1	1	1	1	1
"47"	746	900	901	1	137.045867919922	626313	275.999020105798	100	1	1	1	1	1
"47"	746	900	901	1	154.112442016602	2006.76232910156	0.884325307661281	0.320408857727935	1	1	1	1	1
"47"	802	966	968	1	104.860054016113	30638.400390625	0.416467577099884	0.0925886204295279	1	1	1	1	1
"47"	802	966	968	1	110.028198242188	67928.296875	0.923348897310881	0.205277926249314	1	1	1	1	1
"47"	802	966	968	1	110.035293579102	1441146.625	19.5894966939291	4.35511567654326	1	1	1	1	1
"47"	802	966	968	1	110.559509277344	33952.66015625	0.461518288523181	0.102604245773278	1	1	1	1	1
"47"	802	966	968	1	112.050506591797	73567.3125	1	0.222318916335045	1	1	1	1	1
"47"	802	966	968	1	119.035423278809	1085099.625	14.7497521402593	3.27914891203295	1	1	1	1	1
"47"	802	966	968	1	128.045852661133	75962.28125	1.03255479463111	0.229556462998942	1	1	1	1	1
"47"	802	966	968	1	137.045822143555	33090892	449.804279584088	100	1	1	1	1	1
"47"	802	966	968	1	138.030548095703	43127.65234375	0.586233897612476	0.130330884836075	1	1	1	1	1
"47"	1577	900	903	2	109.06566619873	2550.77392578125	1	0.305422285922778	1	1	1	1	1
"47"	1577	900	903	2	110.035385131836	39166.78515625	15.3548633849446	4.68971747506175	1	1	1	1	1
"47"	1577	900	903	2	112.050643920898	2451.17553710938	0.960953658940445	0.293496663179448	1	1	1	1	1
"47"	1577	900	903	2	119.035369873047	30733.126953125	12.0485499096954	3.67989565547384	1	1	1	1	1
"47"	1577	900	903	2	137.045852661133	835163	327.41553124674	100	1	1	1	1	1
"47"	1577	900	903	2	138.029312133789	2125.6455078125	0.833333556662203	0.254518639811929	1	1	1	1	1
"47"	1577	900	903	2	159.283874511719	2343.61376953125	0.918785371703785	0.280617528498179	1	1	1	1	1
"47"	1641	978	980	2	110.035171508789	541516.5625	2.76029876377297	4.43708845522103	1	1	1	1	1
"47"	1641	978	980	2	112.050842285156	21607.146484375	0.110139160756476	0.177045037687264	1	1	1	1	1
"47"	1641	978	980	2	119.020355224609	16488.48828125	0.084047574849974	0.135103681148777	1	1	1	1	1
"47"	1641	978	980	2	119.035461425781	370753.6875	1.88986083924352	3.03788844230757	1	1	1	1	1
"47"	1641	978	980	2	128.04508972168	18434.0234375	0.0939646460137461	0.151045043202728	1	1	1	1	1
"47"	1641	978	980	2	137.045776367188	12204322	62.2096852841638	100	1	1	1	1	1
"48"	265	318	323	1	110.06037902832	154849	56.157967261008	5.47625611220085	0	1	1	1	0
"48"	265	318	323	1	110.07154083252	10831.705078125	3.92825616670588	0.383064734932993	0	1	1	1	0
"48"	265	318	323	1	112.638984680176	2110.72314453125	0.765480702152664	0.0746460133510908	0	1	1	1	0
"48"	265	318	323	1	125.82527923584	2704.64916992188	0.980875559654794	0.0956502886563273	0	1	1	1	0
"48"	265	318	323	1	133.075561523438	2757.38256835938	1	0.097515212520934	0	1	1	1	0
"48"	265	318	323	1	138.054885864258	2827643.5	1025.4810240867	100	0	1	1	1	0
"48"	265	318	323	1	142.371643066406	2126.2236328125	0.771102152168021	0.0751941902440141	0	1	1	1	0
"48"	265	318	323	1	149.295120239258	2391.84985351562	0.867434893134456	0.0845880979520801	0	1	1	1	0
"48"	265	318	323	1	154.050003051758	4839.1943359375	1.75499562210433	0.171138771062813	0	1	1	1	0
"48"	270	324	329	1	110.060394287109	809952.625	19.9535018490499	6.11593658626055	1	1	1	1	1
"48"	270	324	329	1	110.07243347168	14605.1689453125	0.359804087993392	0.110283347870072	1	1	1	1	1
"48"	270	324	329	1	133.07551574707	8368.701171875	0.206166248682945	0.0631919004849844	1	1	1	1	1
"48"	270	324	329	1	138.054916381836	13243313	326.254230527429	100	1	1	1	1	1
"48"	270	324	329	1	154.049591064453	40592.00390625	1	0.3065094354128	1	1	1	1	1
"48"	291	354	355	1	104.561706542969	2237.48193359375	0.737069749310781	0.80212144771319	1	1	1	1	1
"48"	291	354	355	1	105.649337768555	1918.06628417969	0.63184806724722	0.687613196592368	1	1	1	1	1
"48"	291	354	355	1	110.060264587402	14235.369140625	4.68940544560033	5.10327915160856	1	1	1	1	1
"48"	291	354	355	1	112.067329406738	3035.64477539062	1	1.08825718117348	1	1	1	1	1
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"48"	291	354	355	1	114.089561462402	7900.39501953125	2.60254265702568	2.8322357358185	1	1	1	1	1
"48"	291	354	355	1	122.043327331543	19102.623046875	6.29277285726453	6.84815525141165	1	1	1	1	1
"48"	291	354	355	1	122.060127258301	17191.40234375	5.6631798565884	6.1629961472093	1	1	1	1	1
"48"	291	354	355	1	125.941802978516	2050.11328125	0.675346897591531	0.734951111087212	1	1	1	1	1
"48"	291	354	355	1	132.706451416016	2605.63745117188	0.858347284997001	0.934102596838742	1	1	1	1	1
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"48"	291	354	355	1	140.059799194336	278945.53125	91.8900437598485	100	1	1	1	1	1
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"48"	1094	318	323	2	110.060409545898	151747.359375	26.8882596456596	6.54735429429241	0	1	1	1	0
"48"	1094	318	323	2	110.071807861328	12626.90234375	2.23737289490569	0.544805548013922	0	1	1	1	0
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