diff test-data/batch04_QC18_rep01_280.txt @ 0:afc9136ab094 draft

"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 6321871098b2c4bc9e321d20b7e66fff3d641839"

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/batch04_QC18_rep01_280.txt	Sat Apr 11 16:47:41 2020 -0400
@@ -0,0 +1,546 @@
+mz	intensity	snr	present	fraction	rsd	occurrence	purity	snr_flag	fraction_flag	rsd_flag	flags
+98.9954996926	80208.3953125	30.813462032	10	1.0	13.1883919759	10.0	1.0	1	1	1	1
+101.759610091	26695.9101562	10.1854822123	1	0.1	nan	1.0	1.0	1	0	0	0
+101.760365942	26872.4453125	10.4309947507	1	0.1	nan	1.0	1.0	1	0	0	0
+101.762686038	27960.1679688	10.5797635172	2	0.2	1.58269631786	2.0	1.0	1	0	1	0
+101.763597815	25178.9960938	10.045997821	1	0.1	nan	1.0	1.0	1	0	0	0
+101.764306425	30354.375	10.7879123064	1	0.1	nan	1.0	1.0	1	0	0	0
+101.766635331	26666.5117188	10.639491647	1	0.1	nan	1.0	1.0	1	0	0	0
+101.769521884	29821.4394531	11.1879744811	1	0.1	nan	1.0	1.0	1	0	0	0
+101.772366701	25563.8984375	10.1519753986	1	0.1	nan	1.0	1.0	1	0	0	0
+101.773920395	28159.5273438	10.6573236318	2	0.2	4.93272189105	2.0	1.0	1	0	1	0
+101.774461656	39659.5976562	15.3945444919	1	0.1	nan	1.0	1.0	1	0	0	0
+101.774756214	27996.7070312	11.4500128305	1	0.1	nan	1.0	1.0	1	0	0	0
+101.775223997	29176.7802734	11.2965104593	2	0.2	4.86114296476	2.0	1.0	1	0	1	0
+101.775895949	28494.4648438	10.6053604475	1	0.1	nan	1.0	1.0	1	0	0	0
+101.776230073	35452.1953125	13.7415439949	2	0.2	6.33353983854	2.0	1.0	1	0	1	0
+101.776634346	31432.4414062	11.990010385	2	0.2	4.63037911522	2.0	1.0	1	0	1	0
+101.777200694	28648.8056641	11.1574371861	2	0.2	8.6734633642	2.0	1.0	1	0	1	0
+101.777861086	34541.4423828	13.0476351511	2	0.2	27.2003805059	2.0	1.0	1	0	0	0
+101.778316176	33541.15625	12.7971980864	1	0.1	nan	1.0	1.0	1	0	0	0
+101.778950382	30378.1269531	11.465730304	3	0.3	5.6452635977	3.0	1.0	1	0	1	0
+101.77924867	33468.6142578	12.514458002	2	0.2	28.6592456843	2.0	1.0	1	0	0	0
+101.77964831	31006.5864258	11.9330965986	4	0.4	22.4750843872	4.0	1.0	1	0	0	0
+101.77999156	30660.2265625	11.6980163048	1	0.1	nan	1.0	1.0	1	0	0	0
+101.7802938	27678.9160156	10.7373559474	3	0.3	3.67107118461	3.0	1.0	1	0	1	0
+101.780889738	28330.7539062	10.7263414054	3	0.3	7.43916580344	3.0	1.0	1	0	1	0
+101.781166737	30922.6103516	12.1240743046	2	0.2	17.8866562173	2.0	1.0	1	0	1	0
+101.781573867	30871.9589844	12.0861630787	3	0.3	18.135680603	3.0	1.0	1	0	1	0
+101.782027196	37854.2391183	14.4745642608	7	0.7	15.191408057	7.0	1.0	1	0	1	0
+101.782258282	36488.1171875	14.558147767	1	0.1	nan	1.0	1.0	1	0	0	0
+101.78255315	31276.8271484	11.9478572064	4	0.4	14.2901695006	4.0	1.0	1	0	1	0
+101.782960793	35079.5397135	13.2258264528	3	0.3	18.8259928443	3.0	1.0	1	0	1	0
+101.783306568	27601.1855469	10.4869504452	2	0.2	4.12336147226	2.0	1.0	1	0	1	0
+101.783551695	30512.7109375	11.4780957032	4	0.4	11.3320608671	4.0	1.0	1	0	1	0
+101.783934368	36408.4873047	14.1709914265	6	0.6	23.7479821355	6.0	1.0	1	0	0	0
+101.784513206	36275.29375	13.982735417	5	0.5	17.9177469008	5.0	1.0	1	0	1	0
+101.784794482	28211.6201172	11.2276749833	2	0.2	10.9236493644	2.0	1.0	1	0	1	0
+101.78503503	27375.6393229	10.5444074502	3	0.3	3.54293968257	3.0	1.0	1	0	1	0
+101.785241914	28881.3115234	11.2929617899	2	0.2	12.2007937569	2.0	1.0	1	0	1	0
+101.785521731	31990.8730469	11.906689301	1	0.1	nan	1.0	1.0	1	0	0	0
+101.78587928	38187.5950521	14.6534414982	3	0.3	25.6294976936	3.0	1.0	1	0	0	0
+101.786192531	34321.7460938	13.6299055809	1	0.1	nan	1.0	1.0	1	0	0	0
+101.786403562	28921.0570312	11.151531328	5	0.5	10.4107435987	5.0	1.0	1	0	1	0
+101.786776769	30197.3951823	11.0918968169	3	0.3	10.9584261249	3.0	1.0	1	0	1	0
+101.78709869	25948.7089844	10.3047919659	1	0.1	nan	1.0	1.0	1	0	0	0
+101.787960585	30159.4296875	11.5069436786	1	0.1	nan	1.0	1.0	1	0	0	0
+101.788209622	28098.8203125	10.9070329765	1	0.1	nan	1.0	1.0	1	0	0	0
+101.788779334	36877.4960938	13.7254424893	1	0.1	nan	1.0	1.0	1	0	0	0
+101.789142045	25685.3710938	10.2002148102	1	0.1	nan	1.0	1.0	1	0	0	0
+101.789393072	33440.5078125	12.9804994446	1	0.1	nan	1.0	1.0	1	0	0	0
+101.789979587	30370.3769531	12.1172718546	1	0.1	nan	1.0	1.0	1	0	0	0
+101.792263999	28546.9765625	11.3334774309	1	0.1	nan	1.0	1.0	1	0	0	0
+103.038954516	32797.6232639	12.6164363987	9	0.9	13.3224048039	9.0	1.0	1	1	1	1
+104.106978239	25770.8183594	10.0033795921	1	0.1	nan	1.0	1.0	1	0	0	0
+112.052302597	121733.801562	46.9193741115	10	1.0	6.21722884493	10.0	1.0	1	1	1	1
+114.066182793	60262.403125	23.1806317936	10	1.0	7.02708067277	10.0	1.0	1	1	1	1
+116.070603392	31275.6937934	12.0184909928	9	0.9	12.993820821	9.0	1.0	1	1	1	1
+118.08569842	26717.422526	10.2946460729	3	0.3	9.8017899619	3.0	1.0	1	0	1	0
+118.086255296	323197.540625	124.265641939	10	1.0	5.886612596	10.0	1.0	1	1	1	1
+118.086654839	27104.4546875	10.4330709922	5	0.5	3.14901670751	5.0	1.0	1	0	1	0
+123.013845356	39253.1345703	15.06389601	10	1.0	13.5618723162	10.0	1.0	1	1	1	1
+123.055297502	31510.9865723	12.2482251026	8	0.8	13.7679133057	8.0	1.0	1	1	1	1
+126.021931211	27008.9921875	10.7228799771	1	0.1	nan	1.0	1.0	1	0	0	0
+128.010840885	32085.1751302	12.3165216688	9	0.9	23.440879083	9.0	1.0	1	1	0	0
+128.994860012	32113.2832031	12.4074150744	6	0.6	14.1768452696	6.0	1.0	1	0	1	0
+130.049215993	37624.1371528	14.588705291	9	0.9	14.4178987898	9.0	1.0	1	1	1	1
+130.049876889	147514.230469	56.8812925301	10	1.0	9.67101592345	10.0	1.0	1	1	1	1
+131.009839484	30733.4636719	11.7955759393	10	1.0	11.1927166935	10.0	1.0	1	1	1	1
+131.010521887	93111.3210937	35.758377678	10	1.0	15.1018710816	10.0	1.0	1	1	1	1
+131.018942514	54322.8375	20.9180183987	10	1.0	16.2439372357	10.0	1.0	1	1	1	1
+132.074591092	34920.3964844	13.4405903912	10	1.0	9.39074188168	10.0	1.0	1	1	1	1
+132.075013619	80519.4710938	30.9744155312	10	1.0	7.56550454748	10.0	1.0	1	1	1	1
+132.075574261	424352.515625	163.278684085	10	1.0	3.63375784894	10.0	1.0	1	1	1	1
+132.076109332	1927520.625	741.681781563	10	1.0	2.63465129636	10.0	1.0	1	1	1	1
+132.076669638	19582926.8	7537.21683915	10	1.0	3.88024463677	10.0	1.0	1	1	1	1
+132.077197703	2238931.725	861.641794933	10	1.0	3.3984460211	10.0	1.0	1	1	1	1
+132.078013368	48363.871875	18.650830993	5	0.5	6.04062242534	5.0	1.0	1	0	1	0
+132.078371184	28818.4515625	11.0800058153	10	1.0	6.44695117975	18.0	0.2	1	1	1	1
+132.078689949	26779.0410156	10.3171932876	4	0.4	6.03387645319	4.0	1.0	1	0	1	0
+132.101253754	74106.5054687	28.505300624	10	1.0	7.47559924556	10.0	1.0	1	1	1	1
+132.101915057	244051.21875	93.8495694361	10	1.0	7.31852215201	10.0	1.0	1	1	1	1
+133.034596084	39359.6835938	14.6492883407	1	0.1	nan	1.0	1.0	1	0	0	0
+133.073132106	33301.225	12.8258139675	10	1.0	12.730113568	10.0	1.0	1	1	1	1
+133.073804849	126845.666406	48.8488904298	10	1.0	7.21712330164	10.0	1.0	1	1	1	1
+133.078935035	39275.7597656	15.1181373383	10	1.0	5.40754781314	10.0	1.0	1	1	1	1
+133.079469203	145155.9875	55.8851759579	10	1.0	3.89958675896	10.0	1.0	1	1	1	1
+133.080116687	559205.71875	215.1859802	10	1.0	3.46035590317	10.0	1.0	1	1	1	1
+133.080633754	49866.2903646	19.3777723356	6	0.6	4.58366951761	6.0	1.0	1	0	1	0
+133.105280127	27935.4550781	10.3973024934	1	0.1	nan	1.0	1.0	1	0	0	0
+134.081000219	59811.684375	23.0885194725	10	1.0	10.9476821707	10.0	1.0	1	1	1	1
+134.996426657	31809.9726562	11.8393599492	1	0.1	nan	1.0	1.0	1	0	0	0
+135.002861285	52213.2132812	20.1092627261	10	1.0	15.1407930625	10.0	1.0	1	1	1	1
+136.046911654	28072.8763021	10.9117326034	3	0.3	5.4783785494	3.0	1.0	1	0	1	0
+136.047425251	65101.6636719	25.0481735733	10	1.0	12.832147126	10.0	1.0	1	1	1	1
+136.048125817	429334.659375	165.262843453	10	1.0	7.7332859201	10.0	1.0	1	1	1	1
+136.048701315	35535.3808594	13.6439624891	8	0.8	10.6487425445	8.0	1.0	1	1	1	1
+136.061771534	63416.9371094	24.4038589316	10	1.0	7.9572932801	10.0	1.0	1	1	1	1
+136.940047895	95356.44375	36.6529996569	10	1.0	12.858562933	10.0	1.0	1	1	1	1
+137.029483454	32126.6386719	11.6742926663	2	0.2	6.9229909204	2.0	1.0	1	0	1	0
+137.04506612	34005.4982422	13.1125932393	10	1.0	12.0485422189	10.0	1.0	1	1	1	1
+137.045784698	228800.896875	88.0796532303	10	1.0	4.57455449614	10.0	1.0	1	1	1	1
+139.015603711	76355.078125	29.3812802242	10	1.0	7.29773228142	10.0	1.0	1	1	1	1
+140.066919165	48037.8378906	18.4631009724	10	1.0	10.6313972892	10.0	1.0	1	1	1	1
+140.067482967	134962.080469	51.8726146575	10	1.0	11.500933161	10.0	1.0	1	1	1	1
+140.068181237	899285.99375	345.735476679	10	1.0	11.684680746	10.0	1.0	1	1	1	1
+140.068737603	79999.1138393	30.5855087195	7	0.7	4.51168648148	7.0	1.0	1	0	1	0
+141.015856106	91548.584375	35.2112746718	10	1.0	9.79816363379	10.0	1.0	1	1	1	1
+141.07157966	44360.1582031	17.0477815188	10	1.0	11.4259470197	10.0	1.0	1	1	1	1
+142.948078935	29406.4472656	10.4510198066	1	0.1	nan	1.0	1.0	1	0	0	0
+144.101949803	60509.5671875	23.332585243	10	1.0	8.78779874828	10.0	1.0	1	1	1	1
+146.116758599	45973.1597656	17.7085168093	10	1.0	7.01021531679	10.0	1.0	1	1	1	1
+146.117597965	273183.310937	105.189757532	10	1.0	8.94612892159	10.0	1.0	1	1	1	1
+146.165213291	30949.6914062	11.979948463	8	0.8	14.4651710786	8.0	1.0	1	1	1	1
+147.075025327	84678.6460937	32.5635942712	10	1.0	5.83643972072	10.0	1.0	1	1	1	1
+147.075636434	302258.290625	116.228893219	10	1.0	6.33601436788	10.0	1.0	1	1	1	1
+147.076387427	2025657.55	778.363614358	10	1.0	7.50220988158	10.0	1.0	1	1	1	1
+147.076958262	165351.295139	63.3088471807	9	0.9	5.45321276493	9.0	1.0	1	1	1	1
+147.112853976	47504.9675781	18.2319393011	10	1.0	11.5826352231	10.0	1.0	1	1	1	1
+147.120943958	26223.8164062	10.0053608954	1	0.1	nan	1.0	1.0	1	0	0	0
+148.002469709	34589.8027344	13.3087131881	10	1.0	9.26746260862	10.0	1.0	1	1	1	1
+148.003078083	90639.7226562	34.8388683878	10	1.0	10.2752556693	10.0	1.0	1	1	1	1
+148.003910804	522211.665625	200.833141743	10	1.0	7.65661223132	10.0	1.0	1	1	1	1
+148.004546124	41330.7238281	15.9006624811	10	1.0	8.81571122156	10.0	1.0	1	1	1	1
+148.05901425	38499.3816406	14.7925626434	10	1.0	7.81185199745	10.0	1.0	1	1	1	1
+148.059634675	101054.014844	38.829875881	10	1.0	8.50883618082	10.0	1.0	1	1	1	1
+148.060461085	623525.5125	239.581257979	10	1.0	7.10988544914	10.0	1.0	1	1	1	1
+148.061100137	49806.7003906	19.1323917496	10	1.0	9.81866018195	10.0	1.0	1	1	1	1
+148.079824075	64168.5582031	24.6441940866	10	1.0	13.2913272641	10.0	1.0	1	1	1	1
+149.063842077	27666.5830078	10.8780114105	2	0.2	10.2708186195	2.0	1.0	1	0	1	0
+150.976846547	96863.7851562	37.1284976534	10	1.0	17.0197653221	10.0	1.0	1	1	1	1
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+156.041288131	66600.125	31.5020008191	11	1.0	9.94104951789	11.0	1.0	1	1	1	1
+156.042089372	522339.3125	247.023829845	11	1.0	4.09322624072	11.0	1.0	1	1	1	1
+156.076742241	34311.2647372	16.221738673	11	1.0	7.23964902441	11.0	1.0	1	1	1	1
+156.989757901	40824.9264915	19.3063650982	11	1.0	10.424161794	11.0	1.0	1	1	1	1
+157.045477013	28706.0037287	13.5697189355	11	1.0	7.15486235046	11.0	1.0	1	1	1	1
+158.040253971	37144.940696	17.5644978012	11	1.0	7.04540969015	11.0	1.0	1	1	1	1
+158.921990298	28480.7851562	13.0346668049	1	0.0909090909091	nan	1.0	1.0	1	0	0	0
+159.013827565	25165.5578613	11.8515867431	8	0.727272727273	15.0265097229	8.0	1.0	1	0	1	0
+159.027717102	22983.5106027	10.9440568474	7	0.636363636364	5.27943337177	7.0	1.0	1	0	1	0
+160.13319496	60008.7791193	28.3470121492	11	1.0	13.9459157662	11.0	1.0	1	1	1	1
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+162.110690868	62368.3206676	29.4879146246	11	1.0	2.84149232573	11.0	1.0	1	1	1	1
+162.111551833	430608.53125	203.451736674	1	0.0909090909091	nan	1.0	1.0	1	0	0	0
+162.112342138	3322454.54545	1571.21907407	11	1.0	2.27309485661	11.0	1.0	1	1	1	1
+162.113085036	286819.289773	135.631772178	11	1.0	2.93949282412	11.0	1.0	1	1	1	1
+163.045142665	24015.7097656	11.3066411311	10	0.909090909091	8.33763181524	10.0	1.0	1	1	1	1
+163.114855181	24080.1553622	11.3822121397	11	1.0	8.00417457718	11.0	1.0	1	1	1	1
+163.1158098	193684.607955	91.5844428075	11	1.0	4.53318638476	11.0	1.0	1	1	1	1
+163.976860573	52888.3629261	25.0089866508	11	1.0	9.83568463676	11.0	1.0	1	1	1	1
+163.977787398	461761.96875	218.32202049	11	1.0	5.92226503094	11.0	1.0	1	1	1	1
+165.973612928	23474.6480469	10.9778392128	5	0.454545454545	4.33766556515	5.0	1.0	1	0	1	0
+165.975934395	34182.1882102	16.1561102593	11	1.0	14.3962626379	11.0	1.0	1	1	1	1
+166.086242973	55146.2713068	26.0734456045	11	1.0	5.63935063152	11.0	1.0	1	1	1	1
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+445.337905108	11985.6819661	11.1851791171	9	0.75	9.62412547277	9.0	1.0	1	0	1	0
+445.374295238	12459.3065321	11.9439132867	9	0.75	14.5641202267	9.0	1.0	1	0	1	0
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+485.405650365	10909.3447266	10.75909758	1	0.0833333333333	nan	1.0	1.0	1	0	0	0
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+525.38895948	9933.82519531	10.3355516353	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
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+540.395487076	11589.2705078	10.2059132811	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
+545.424906994	11004.8935547	10.6547223082	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
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+548.283207518	5842.88916016	18.1203630285	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
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+553.366692392	13518.1357422	41.9233568194	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
+553.367915388	6161524.20833	6157.73580015	12	0.923076923077	9.134424636	12.0	1.0	1	1	1	1
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+554.370206019	3884.59204102	12.0471595595	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
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+559.152424159	9524.51464844	10.1276698039	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
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+567.370959911	12115.6542969	13.3846099178	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
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+569.354380216	12734.9169922	11.129817199	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
+569.361581366	7933.26464844	24.6031768686	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
+569.364494486	270752.489583	273.994306647	12	0.923076923077	31.5408135643	12.0	1.0	1	1	0	0
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+583.341042869	6064.60498047	18.8079631255	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
+585.35631426	3621.07104492	11.229910424	1	0.0769230769231	nan	1.0	1.0	1	0	0	0
\ No newline at end of file