diff test-data/batch04_QC17_rep02_263.txt @ 0:33b65dacd377 draft

"planemo upload for repository https://github.com/computational-metabolomics/dimspy-galaxy commit 6321871098b2c4bc9e321d20b7e66fff3d641839"
author computational-metabolomics
date Sat, 11 Apr 2020 16:51:19 -0400
parents
children c72868b80c29
line wrap: on
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/batch04_QC17_rep02_263.txt	Sat Apr 11 16:51:19 2020 -0400
@@ -0,0 +1,511 @@
+mz	intensity	snr	present	fraction	rsd	occurrence	purity	snr_flag	fraction_flag	flags
+98.9955019004	84451.2265625	31.7440778089	10	1.0	7.77367705111	10.0	1.0	1	1	1
+101.761245271	32550.375	11.7929465044	1	0.1	nan	1.0	1.0	1	0	0
+101.762109411	35030.5703125	12.6915171243	1	0.1	nan	1.0	1.0	1	0	0
+101.76262088	35174.5234375	13.418830959	1	0.1	nan	1.0	1.0	1	0	0
+101.763132954	26464.4316406	10.0959927785	1	0.1	nan	1.0	1.0	1	0	0
+101.763354418	28354.5146484	10.7086199539	2	0.2	4.57943273784	2.0	1.0	1	0	0
+101.764453602	30835.7578125	11.6280785711	2	0.2	13.9128862206	2.0	1.0	1	0	0
+101.7651537	27039.2695312	10.1936221136	1	0.1	nan	1.0	1.0	1	0	0
+101.771710654	31634.0732422	11.6823623565	2	0.2	19.4181918985	2.0	1.0	1	0	0
+101.772204612	29348.18125	11.0363579242	5	0.5	8.49275304413	5.0	1.0	1	1	1
+101.772782957	29805.6152344	11.2285206144	2	0.2	3.11583437987	2.0	1.0	1	0	0
+101.773211058	32438.3046875	11.7756102024	2	0.2	18.9035505882	2.0	1.0	1	0	0
+101.774160788	33584.6757812	12.6305511407	4	0.4	28.6332913038	4.0	1.0	1	0	0
+101.774601733	31854.6848958	11.9396540804	3	0.3	11.3977479521	3.0	1.0	1	0	0
+101.774886361	27928.8457031	10.5289863263	1	0.1	nan	1.0	1.0	1	0	0
+101.77534776	28452.9785156	10.7701086914	1	0.1	nan	1.0	1.0	1	0	0
+101.775569642	44103.8515625	16.3666890296	1	0.1	nan	1.0	1.0	1	0	0
+101.776203278	29334.0644531	11.2642139913	2	0.2	4.51023573503	2.0	1.0	1	0	0
+101.776462277	28595.7910156	10.8241665169	1	0.1	nan	1.0	1.0	1	0	0
+101.776797216	27960.3776042	10.591041447	3	0.3	3.49564290589	3.0	1.0	1	0	0
+101.777401466	27360.0703125	10.3145618429	1	0.1	nan	1.0	1.0	1	0	0
+101.777789955	33314.375	12.6454242076	2	0.2	9.04850068751	2.0	1.0	1	0	0
+101.778108289	31527.1692708	11.700624089	3	0.3	10.4051336347	3.0	1.0	1	0	0
+101.778498576	31337.5234375	11.7630284794	2	0.2	9.7160562875	3.0	0.5	1	0	0
+101.778821835	28602.9160156	10.6143798145	1	0.1	nan	1.0	1.0	1	0	0
+101.779113798	27481.7773438	10.4841029412	1	0.1	nan	1.0	1.0	1	0	0
+101.779616687	31644.8125	11.9672764207	2	0.2	9.08421199185	2.0	1.0	1	0	0
+101.78012274	31657.746582	11.6955277262	4	0.4	12.3275680339	4.0	1.0	1	0	0
+101.78036894	35063.9345703	13.3989264485	2	0.2	14.9162035085	2.0	1.0	1	0	0
+101.780603216	39432.7519531	14.4487910205	2	0.2	18.0989507839	2.0	1.0	1	0	0
+101.780950357	30655.5917969	11.7665710618	1	0.1	nan	1.0	1.0	1	0	0
+101.781223124	32459.6645508	12.2859713321	4	0.4	13.7445471032	4.0	1.0	1	0	0
+101.78145739	39429.2753906	14.6538488163	5	0.5	18.9477858001	5.0	1.0	1	1	1
+101.781813314	42852.5403646	16.0113159229	6	0.6	22.2676926764	6.0	1.0	1	1	1
+101.782168131	39139.2646484	14.8314227801	4	0.4	21.7636584822	4.0	1.0	1	0	0
+101.782467224	37896.9567057	14.3413984371	6	0.6	19.7000657986	6.0	1.0	1	1	1
+101.782725561	42090.5410156	15.562375607	2	0.2	29.1779842887	2.0	1.0	1	0	0
+101.782955956	32858.3325195	12.3017226935	4	0.4	19.8198479159	4.0	1.0	1	0	0
+101.783291974	31514.2480469	12.0264628523	2	0.2	0.567130026237	2.0	1.0	1	0	0
+101.783843492	40019.9663086	15.2751560113	4	0.4	39.5606314199	4.0	1.0	1	0	0
+101.784269638	32181.0286458	12.020740205	3	0.3	14.1201888078	3.0	1.0	1	0	0
+101.78457014	33495.125	12.627436052	1	0.1	nan	1.0	1.0	1	0	0
+101.784935333	29937.0722656	11.2726505855	5	0.5	15.8922733176	5.0	1.0	1	1	1
+101.785253204	29677.3105469	11.013081528	1	0.1	nan	1.0	1.0	1	0	0
+101.785870948	29142.7080078	11.1560273863	2	0.2	5.04318288896	2.0	1.0	1	0	0
+101.786439724	31269.7294922	11.6942397129	2	0.2	3.07955196643	2.0	1.0	1	0	0
+101.787378671	27573.0634766	10.5227174727	2	0.2	0.248128846262	2.0	1.0	1	0	0
+101.788201622	27024.7001953	10.2294724011	1	0.1	nan	2.0	0.0	1	0	0
+101.78857405	26586.7402344	10.2700249585	1	0.1	nan	1.0	1.0	1	0	0
+101.790917832	28723.8779297	10.8832981272	2	0.2	2.31937603418	2.0	1.0	1	0	0
+101.7919515	30445.0292969	11.5241458626	1	0.1	nan	1.0	1.0	1	0	0
+103.038944067	35208.5872396	13.2431316327	3	0.3	10.2019852039	3.0	1.0	1	0	0
+104.106977796	31143.5230035	11.7164106858	9	0.9	12.3991598947	9.0	1.0	1	1	1
+112.052301717	153719.28125	57.7564689829	10	1.0	6.67470171676	10.0	1.0	1	1	1
+113.020908516	28645.1083984	11.0004142593	2	0.2	8.0214985807	2.0	1.0	1	0	0
+114.066180002	66439.5613281	24.9706853163	10	1.0	7.86790569849	10.0	1.0	1	1	1
+115.036558808	35491.1291016	13.3299448805	10	1.0	11.9701202132	10.0	1.0	1	1	1
+116.07060242	29972.5449219	11.2210950802	5	0.5	6.72227972428	5.0	1.0	1	1	1
+118.085687934	28924.7222656	10.8551646426	5	0.5	4.78631928298	5.0	1.0	1	1	1
+118.086252154	334143.975	125.486520294	10	1.0	5.20664687123	10.0	1.0	1	1	1
+118.086653858	27912.5683594	10.3762819709	1	0.1	nan	1.0	1.0	1	0	0
+123.013841605	31632.4296875	11.8556645005	9	0.9	8.91490804416	9.0	1.0	1	1	1
+123.055287124	32552.2897135	12.1910756489	9	0.9	10.4554202922	9.0	1.0	1	1	1
+126.021930562	30321.7949219	11.5675494837	1	0.1	nan	1.0	1.0	1	0	0
+128.010845095	48139.7953125	18.0868754199	10	1.0	15.0901614638	10.0	1.0	1	1	1
+128.994858964	45973.4792969	17.2568922967	10	1.0	14.6812413554	10.0	1.0	1	1	1
+130.049198924	27880.6601562	10.7698451612	1	0.1	nan	1.0	1.0	1	0	0
+130.049880906	119751.939062	45.0053779531	10	1.0	13.5955775973	10.0	1.0	1	1	1
+131.009835312	32898.309375	12.3675147079	10	1.0	9.2134570132	10.0	1.0	1	1	1
+131.010514714	137421.994531	51.6972877465	10	1.0	9.48388846128	10.0	1.0	1	1	1
+131.018939825	48886.0308594	18.3871615113	10	1.0	15.6143661875	10.0	1.0	1	1	1
+132.074582968	29099.0058594	10.8655604381	3	0.3	4.73245654073	3.0	1.0	1	0	0
+132.075000576	61245.1585937	23.0062885715	10	1.0	6.6190994797	10.0	1.0	1	1	1
+132.075552632	329270.725	123.677631198	10	1.0	4.13999125262	10.0	1.0	1	1	1
+132.076095384	1605462.1125	603.219672932	10	1.0	4.17826396596	10.0	1.0	1	1	1
+132.076678619	15995033.0	6010.26097502	10	1.0	1.86046166012	10.0	1.0	1	1	1
+132.077213366	1798429.0375	675.742468126	10	1.0	2.11623486529	10.0	1.0	1	1	1
+132.078042697	38095.5888672	14.3236398431	9	0.9	13.7215663493	11.0	0.777777777778	1	1	1
+132.10123499	70287.8515625	26.4087193991	10	1.0	9.6136993272	10.0	1.0	1	1	1
+132.101928966	260195.334375	97.7016537297	10	1.0	6.46474401224	10.0	1.0	1	1	1
+133.034576799	31180.1796875	11.2965270309	1	0.1	nan	1.0	1.0	1	0	0
+133.073107006	28835.0175781	10.7733305466	7	0.7	9.41734387681	7.0	1.0	1	1	1
+133.073804674	106261.24375	39.9022755874	10	1.0	7.60604139854	10.0	1.0	1	1	1
+133.078933221	35714.8583984	13.4261145427	10	1.0	4.65812935628	10.0	1.0	1	1	1
+133.079441207	112994.835156	42.4655429376	10	1.0	10.7081932136	10.0	1.0	1	1	1
+133.080130758	430497.084375	161.86951968	10	1.0	7.73422684669	10.0	1.0	1	1	1
+133.080636079	36245.6044922	13.6794717511	8	0.8	8.87599158956	8.0	1.0	1	1	1
+134.04481226	29402.8710938	11.2826850829	2	0.2	9.50433295214	2.0	1.0	1	0	0
+134.081017792	47303.3210937	17.7838811166	10	1.0	11.752338207	10.0	1.0	1	1	1
+134.996482207	35648.171875	12.915273139	1	0.1	nan	1.0	1.0	1	0	0
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+136.939346613	28702.4882812	10.8206443566	1	0.1	nan	1.0	1.0	1	0	0
+136.940066868	134330.621875	50.4635338737	10	1.0	7.85754232268	10.0	1.0	1	1	1
+137.029503565	31457.2578125	11.6726206949	5	0.5	17.1475506102	5.0	1.0	1	1	1
+137.045064148	43289.5714844	16.2535788627	10	1.0	11.3374679409	10.0	1.0	1	1	1
+137.04579769	282509.390625	106.128330796	10	1.0	5.29992043812	10.0	1.0	1	1	1
+138.052577764	28766.0800781	10.6618291131	2	0.2	3.97869939654	2.0	1.0	1	0	0
+138.964126152	27634.5097656	10.0576952673	1	0.1	nan	1.0	1.0	1	0	0
+139.015612062	87313.8757812	32.7984374302	10	1.0	11.0596177273	10.0	1.0	1	1	1
+140.066929815	65386.7152344	24.5656946033	10	1.0	6.34385277641	10.0	1.0	1	1	1
+140.067486797	195610.175	73.5008310132	10	1.0	5.67143660289	10.0	1.0	1	1	1
+140.068180233	1325051.425	497.906467677	10	1.0	4.48965340931	10.0	1.0	1	1	1
+140.068755299	103401.79375	38.8692908198	10	1.0	7.67971252743	10.0	1.0	1	1	1
+140.994874703	28897.5014648	10.8105499338	4	0.4	8.38292066836	4.0	1.0	1	0	0
+141.015857951	116313.95625	43.7136731655	10	1.0	4.92540087208	10.0	1.0	1	1	1
+141.071582519	53365.9246094	20.0579778211	10	1.0	10.1623522933	10.0	1.0	1	1	1
+142.948086895	30537.1372768	11.3650741642	7	0.7	7.39680779732	7.0	1.0	1	1	1
+143.010512781	28524.25	10.7426156377	3	0.3	6.70992822436	3.0	1.0	1	0	0
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+147.076988068	206060.190625	77.3988051989	10	1.0	4.94636670784	10.0	1.0	1	1	1
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+538.396535713	16600.9980469	21.2818919995	1	0.0769230769231	nan	1.0	1.0	1	0	0
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+541.361938784	11221.6885653	12.1699477569	11	0.846153846154	11.5577474932	11.0	1.0	1	1	1
+542.215761032	14856.4060059	16.0511401951	12	0.923076923077	12.258435019	12.0	1.0	1	1	1
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+546.427337781	10666.5700684	11.592674735	8	0.615384615385	9.46447850626	8.0	1.0	1	1	1
+548.275821353	10111.5505642	11.0562924405	9	0.692307692308	7.45485171335	9.0	1.0	1	1	1
+548.283782287	47239.1015625	60.5588564475	1	0.0769230769231	nan	1.0	1.0	1	0	0
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+549.287169832	15199.5185547	19.4852448878	1	0.0769230769231	nan	1.0	1.0	1	0	0
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+550.360820158	9786.296875	10.180717662	1	0.0769230769231	nan	1.0	1.0	1	0	0
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+554.370239465	89058.4921875	114.169835273	1	0.0769230769231	nan	1.0	1.0	1	0	0
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+555.365092895	17300.0371094	22.1780353392	1	0.0769230769231	nan	1.0	1.0	1	0	0
+555.366584503	242644.25651	262.03192655	12	0.923076923077	6.29525279387	12.0	1.0	1	1	1
+555.374282489	123558.12485	133.662156654	13	1.0	27.1313050753	13.0	1.0	1	1	1
+556.370302349	59760.1204427	64.5148002126	12	0.923076923077	5.81866143653	12.0	1.0	1	1	1
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+557.373232722	9920.55322266	10.775732711	2	0.153846153846	1.63675962208	2.0	1.0	1	0	0
+557.502193445	9634.03710938	11.1080754699	1	0.0769230769231	nan	1.0	1.0	1	0	0
+559.151354999	15928.0378418	17.220161498	12	0.923076923077	8.3947622058	12.0	1.0	1	1	1
+563.551635387	11299.7088956	12.2471079342	11	0.846153846154	12.4570855196	11.0	1.0	1	1	1
+569.364210753	53249.030599	57.5624998491	12	0.923076923077	4.48289603877	12.0	1.0	1	1	1
+570.367685904	16177.2663574	17.4893903729	12	0.923076923077	7.93129346165	12.0	1.0	1	1	1
\ No newline at end of file