diff test-data/xset.merged.group.retcor.group.fillPeaks.fwhm.groupCorr.findIsotopes.variableMetadata.tsv @ 27:75a1b3f7bacc draft default tip

planemo upload commit 24d44ee26b7c23380c2b42fae2f7f6e58472100d
author workflow4metabolomics
date Sun, 24 Nov 2024 21:27:48 +0000
parents
children
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/xset.merged.group.retcor.group.fillPeaks.fwhm.groupCorr.findIsotopes.variableMetadata.tsv	Sun Nov 24 21:27:48 2024 +0000
@@ -0,0 +1,559 @@
+name	name_custom	mz	mzmin	mzmax	rt	rtmin	rtmax	npeaks	KO	WT	ms_level	isotopes	adduct	pcgroup
+M200T2927	M200.1000T2927.0754	200.100006103516	200.100006103516	200.100006103516	2927.0753901825	2925.9079491655	2928.24283119951	2	1	1	1			43
+M201T2531	M201.0465T2531.1252	201.046529396752	201.029215881161	201.063842912344	2531.12516042043	2531.08932212593	2531.16099871493	2	1	1	1			129
+M205T2785	M205.0000T2785.4174	205	205	205	2785.41742651204	2784.87633345166	2785.95851957242	2	1	1	1			9
+M206T2785	M205.9839T2785.4105	205.98390828422	205.981949731978	205.985866836462	2785.41047994888	2784.38647613272	2786.43448376505	2	1	1	1			9
+M207T2713	M207.0807T2712.6530	207.080666733779	207.079243388168	207.082090079391	2712.65296577754	2712.41726475728	2712.8886667978	2	1	1	1			64
+M208T2641	M208.0750T2640.6626	208.074978432073	208.067071483392	208.082885380755	2640.6626053216	2640.53910989763	2640.78610074557	2	1	1	1			158
+M208T2711	M208.1044T2711.0881	208.104404926615	208.088702438086	208.120107415143	2711.08810179789	2710.85474643823	2711.32145715756	2	1	1	1			64
+M209T2551	M209.1000T2551.4756	209.100006103516	209.100006103516	209.100006103516	2551.47561333737	2551.47561333737	2551.47561333737	1	0	1	1			160
+M219T2519	M219.0882T2518.6068	219.088172929439	219.084775924695	219.091569934183	2518.60683865986	2518.5536681278	2518.66000919193	2	1	1	1			119
+M229T2514	M229.0697T2513.9150	229.069679269317	229.039352435118	229.100006103516	2513.91503952751	2512.41065087382	2515.4194281812	2	1	1	1			138
+M230T3394	M230.1000T3394.0457	230.100006103516	230.100006103516	230.100006103516	3394.04567644276	3373.51890105232	3414.5724518332	2	0	1	1			73
+M233T3020	M233.0423T3019.7258	233.04227360019	233.039010198801	233.045537001579	3019.72579092005	3018.34163163307	3021.10995020702	2	1	1	1			36
+M234T3020	M234.0244T3019.7258	234.024434759849	234.021206871038	234.027662648659	3019.72579092005	3018.34163163307	3021.10995020702	2	1	1	1			36
+M235T2713	M235.0550T2712.6530	235.055008642385	235.050488500611	235.059528784158	2712.65296577754	2712.41726475728	2712.8886667978	2	1	1	1			64
+M236T2519	M236.0996T2518.6068	236.099622570333	236.095648733713	236.103596406952	2518.60683865986	2518.5536681278	2518.66000919193	2	1	1	1			119
+M237T2517	M237.1161T2516.9866	237.116063248768	237.116063248768	237.116063248768	2516.98655265209	2516.98655265209	2516.98655265209	1	1	0	1			234
+M240T3676	M240.2000T3675.7313	240.199996948242	240.199996948242	240.199996948242	3675.73128745155	3675.73128745155	3675.73128745155	1	1	0	1			38
+M241T3662	M241.1350T3661.6980	241.135017758463	241.124085458341	241.145950058585	3661.69796578767	3660.69117301036	3662.70475856497	2	1	1	1			4
+M242T3662	M242.1338T3662.4545	242.133784001153	242.124779779594	242.142788222712	3662.45448648623	3662.2042144075	3662.70475856497	2	1	1	1			169
+M244T2828	M244.1000T2828.4475	244.100006103516	244.100006103516	244.100006103516	2828.44750679733	2828.33840345349	2828.55661014116	2	1	1	1	[1][M]+		80
+M245T2509	M245.0471T2509.2807	245.04712659933	245.04712659933	245.04712659933	2509.28065087382	2509.28065087382	2509.28065087382	1	0	1	1			141
+M245T2832	M245.1000T2831.6717	245.100006103516	245.100006103516	245.100006103516	2831.6716631489	2831.6716631489	2831.6716631489	1	1	0	1	[1][M+1]+		80
+M246T2509	M246.1257T2509.2136	246.125706806709	246.051416665176	246.199996948242	2509.21355875433	2506.01646663483	2512.41065087382	2	1	1	1			240
+M249T3659	M249.1379T3659.4012	249.137869543783	249.116589908592	249.159149178974	3659.40123207086	3657.65169281668	3661.15077132505	2	1	1	1			4
+M250T3659	M250.1232T3658.6459	250.123197974374	250.118042240254	250.128353708495	3658.6458561662	3656.14094100736	3661.15077132505	2	1	1	1			4
+M251T2737	M251.1000T2737.4253	251.100006103516	251.100006103516	251.100006103516	2737.42534123452	2737.42534123452	2737.42534123452	1	0	1	1			114
+M253T3068	M253.2220T3068.0110	253.222017718696	253.222017718696	253.222017718696	3068.01100697672	3068.01100697672	3068.01100697672	1	1	0	1			199
+M255T3662	M255.1784T3661.6980	255.17844599862	255.161515128943	255.195376868297	3661.69796578767	3660.69117301036	3662.70475856497	2	1	1	1			4
+M256T3438	M256.1517T3438.3685	256.151749207278	256.148538597296	256.154959817259	3438.36853316629	3437.77015664966	3438.96690968293	2	1	1	1			120
+M256T3661	M256.1489T3660.9210	256.148929507221	256.126136756814	256.171722257627	3660.9209721677	3660.69117301036	3661.15077132505	2	1	1	1			4
+M257T3641	M257.1311T3640.9401	257.131073129248	257.130964281167	257.13118197733	3640.94011509464	3640.93165890307	3640.9485712862	2	1	1	1			18
+M265T2609	M265.0755T2609.3675	265.075477661216	265.066152246091	265.08480307634	2609.3674722554	2609.29119483671	2609.44374967408	2	1	1	1			112
+M266T2829	M266.0979T2829.2337	266.097887579036	266.075084406137	266.120690751935	2829.23368262014	2828.55661014116	2829.91075509911	2	1	1	1			80
+M266T3660	M266.1650T3660.1782	266.164985489228	266.154629909726	266.17534106873	3660.17822569082	3657.65169281668	3662.70475856497	2	1	1	1	[2][M]+		4
+M267T3659	M267.1571T3659.4012	267.157097266959	267.156667601771	267.157526932148	3659.40123207086	3657.65169281668	3661.15077132505	2	1	1	1	[2][M+1]+		4
+M268T3659	M268.1621T3659.4012	268.162134654106	268.149981115226	268.174288192986	3659.40123207086	3657.65169281668	3661.15077132505	2	1	1	1	[2][M+2]+		4
+M269T3857	M269.1526T3857.4411	269.152590189573	269.147849551674	269.157330827473	3857.44112382021	3854.51569330144	3860.36655433897	2	1	1	1			78
+M270T3855	M270.1768T3854.5157	270.176778842134	270.176778842134	270.176778842134	3854.51569330144	3854.51569330144	3854.51569330144	1	1	0	1			49
+M272T3120	M272.1295T3119.8528	272.129489823002	272.127502261076	272.131477384928	3119.85281863003	3117.65355201596	3122.0520852441	2	1	1	1			61
+M272T2738	M272.1230T2737.6865	272.122978023788	272.119705628581	272.126250418996	2737.68649808677	2734.81994860381	2740.55304756972	2	1	1	1			114
+M273T3652	M273.2027T3651.8276	273.202745565007	273.202745565007	273.202745565007	3651.82762984483	3651.82762984483	3651.82762984483	1	0	1	1			218
+M274T2638	M273.9202T2637.6524	273.920181994969	273.920181994969	273.920181994969	2637.65241435597	2637.65241435597	2637.65241435597	1	1	0	1			243
+M278T3188	M278.2754T3188.2085	278.275356903963	278.275356903963	278.275356903963	3188.20847362513	3188.20847362513	3188.20847362513	1	1	0	1			28
+M279T2786	M279.0143T2786.1965	279.01428220873	279.007180751429	279.02138366603	2786.19650166873	2785.95851957242	2786.43448376505	2	1	1	1	[3][M]+		9
+M280T2786	M280.0240T2786.1965	280.024047784667	280.016563916513	280.03153165282	2786.19650166873	2785.95851957242	2786.43448376505	2	1	1	1	[3][M+1]+		9
+M281T2785	M281.0553T2785.4105	281.055296585054	281.036496220741	281.074096949366	2785.41047994888	2784.38647613272	2786.43448376505	2	1	1	1			9
+M281T3659	M281.2000T3658.6459	281.200012207031	281.200012207031	281.200012207031	3658.6458561662	3656.14094100736	3661.15077132505	2	1	1	1			4
+M282T3458	M282.1706T3458.3338	282.170620279177	282.141228351323	282.200012207031	3458.3338271502	3457.85438591079	3458.8132683896	2	1	1	1			72
+M282T3659	M282.1747T3658.6459	282.17466759255	282.164946314838	282.184388870262	3658.6458561662	3656.14094100736	3661.15077132505	2	1	1	1			4
+M283T3645	M283.1715T3644.7956	283.171517966001	283.166994017516	283.176041914486	3644.79563557673	3643.99230239388	3645.59896875958	2	1	1	1			18
+M283T3855	M283.1877T3854.5157	283.187697127735	283.187697127735	283.187697127735	3854.51569330144	3854.51569330144	3854.51569330144	1	1	0	1			49
+M284T2713	M284.1000T2712.6530	284.100006103516	284.100006103516	284.100006103516	2712.65296577754	2712.41726475728	2712.8886667978	2	1	1	1			64
+M284T3678	M284.2000T3677.8374	284.200012207031	284.200012207031	284.200012207031	3677.8373953495	3677.23214524652	3678.44264545248	2	1	1	1			190
+M284T3276	M284.3506T3276.2097	284.350554858966	284.350554858966	284.350554858966	3276.20973711997	3276.20973711997	3276.20973711997	1	0	1	1			12
+M286T3251	M286.1669T3250.8518	286.166946656731	286.158389196677	286.175504116785	3250.85181079767	3250.04941740442	3251.65420419092	2	1	1	1			20
+M287T3251	M287.1499T3250.8518	287.14988988029	287.139310973674	287.160468786906	3250.85181079767	3250.04941740442	3251.65420419092	2	1	1	1			20
+M288T2514	M288.0000T2513.9150	288	288	288	2513.91503952751	2512.41065087382	2515.4194281812	2	1	1	1			239
+M288T2792	M288.1070T2792.4550	288.106951937954	288.100006103516	288.113897772393	2792.45503953173	2792.22864899731	2792.68143006616	2	1	1	1			57
+M288T3145	M288.2000T3145.3770	288.200012207031	288.200012207031	288.200012207031	3145.37697207617	3145.37697207617	3145.37697207617	1	0	1	1			122
+M289T2713	M289.0608T2713.4342	289.060807248075	289.048641929726	289.072972566425	2713.43422174914	2712.8886667978	2713.97977670048	2	1	1	1			64
+M289T3110	M289.1135T3109.6829	289.113453775092	289.100006103516	289.126901446668	3109.68285709269	3106.771385876	3112.59432830938	2	1	1	1			97
+M291T3660	M291.2188T3659.5962	291.218791312977	291.218791312977	291.218791312977	3659.59618154948	3659.59618154948	3659.59618154948	1	0	1	1			4
+M296T2724	M296.0853T2723.6055	296.085280958534	296.072833233548	296.097728683519	2723.60553660022	2723.35517419303	2723.85589900742	2	1	1	1			139
+M298T3177	M298.1499T3177.1497	298.149908299907	298.149908299907	298.149908299907	3177.14974848933	3177.14974848933	3177.14974848933	1	1	0	1			137
+M299T3641	M299.1000T3640.9486	299.100006103516	299.100006103516	299.100006103516	3640.9485712862	3640.9485712862	3640.9485712862	1	1	0	1			18
+M300T3379	M300.1938T3378.9969	300.193847503978	300.189042701251	300.198652306706	3378.99685275321	3378.26336864849	3379.73033685792	2	1	1	1	[4][M]+		27
+M301T2786	M301.0000T2786.1965	301	301	301	2786.19650166873	2785.95851957242	2786.43448376505	2	1	1	1	[5][M]+		9
+M301T3380	M301.1949T3379.7303	301.194921180594	301.194921180594	301.194921180594	3379.73033685792	3379.73033685792	3379.73033685792	1	1	0	1	[4][M+1]+		27
+M302T2617	M302.0000T2617.1924	302	302	302	2617.19237456374	2617.1038036603	2617.28094546719	2	1	1	1			77
+M302T2786	M302.0000T2786.1965	302	302	302	2786.19650166873	2785.95851957242	2786.43448376505	2	1	1	1	[5][M+1]+		9
+M302T3380	M302.1427T3379.7303	302.142688602599	302.142688602599	302.142688602599	3379.73033685792	3379.73033685792	3379.73033685792	1	1	0	1			27
+M304T2924	M304.1000T2923.9525	304.100006103516	304.100006103516	304.100006103516	2923.95253638176	2923.5726664536	2924.33240630992	2	1	1	1	[6][M]+		43
+M305T3495	M305.1000T3495.3570	305.100006103516	305.100006103516	305.100006103516	3495.35699687312	3495.20975375158	3495.50423999465	2	1	1	1	[7][M]+		50
+M305T2922	M305.1033T2922.3862	305.10334276711	305.100006103516	305.106679430704	2922.38623272669	2922.01552742621	2922.75693802716	2	1	1	1	[6][M+1]+		43
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+M306T2922	M306.1100T2922.3862	306.10997764655	306.100006103516	306.119949189585	2922.38623272669	2922.01552742621	2922.75693802716	2	1	1	1	[6][M+2]+		43
+M307T2617	M306.9849T2617.1924	306.984894215573	306.969788431145	307	2617.19237456374	2617.1038036603	2617.28094546719	2	1	1	1			77
+M308T3250	M308.1169T3250.0846	308.116894950045	308.112957419305	308.120832480784	3250.0845985581	3250.04941740442	3250.11977971179	2	1	1	1			20
+M309T2924	M309.1000T2923.9525	309.100006103516	309.100006103516	309.100006103516	2923.95253638176	2923.5726664536	2924.33240630992	2	1	1	1			43
+M309T3660	M309.2000T3660.1597	309.200012207031	309.200012207031	309.200012207031	3660.15970403023	3659.16863673541	3661.15077132505	2	1	1	1			4
+M310T2924	M310.0801T2923.5727	310.080073649914	310.080073649914	310.080073649914	2923.5726664536	2923.5726664536	2923.5726664536	1	1	0	1			43
+M310T3621	M310.2000T3620.7678	310.200012207031	310.189775445059	310.200012207031	3620.7678093224	3619.57102031848	3663.70902201062	3	1	1	1			178
+M310T2792	M310.1210T2792.2286	310.120951862551	310.120951862551	310.120951862551	2792.22864899731	2792.22864899731	2792.22864899731	1	0	1	1			57
+M311T3065	M311.1000T3065.0441	311.100006103516	311.100006103516	311.100006103516	3065.0440823792	3063.361340183	3066.72682457541	2	1	1	1			41
+M311T3856	M311.2187T3856.0894	311.218734338601	311.218734338601	311.218734338601	3856.08942690964	3856.08942690964	3856.08942690964	1	1	0	1			78
+M312T3847	M312.1978T3847.2587	312.197768143384	312.19059318318	312.204943103588	3847.2586821579	3846.62688434858	3847.89047996722	2	1	1	1			125
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+M313T3275	M313.1419T3274.9772	313.141879260956	313.104927312363	313.17883120955	3274.9772035661	3274.67089601619	3275.28351111601	2	1	1	1	[9][M]+		12
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+M314T3276	M314.1444T3275.7666	314.14443187461	314.135794560543	314.153069188678	3275.76657781201	3274.67089601619	3276.86225960782	2	1	1	1	[9][M+1]+		12
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+M316T3082	M316.2000T3082.4909	316.200012207031	316.200012207031	316.200012207031	3082.49091066081	3082.49091066081	3082.49091066081	1	0	1	1			51
+M317T2786	M317.0000T2786.1965	317	317	317	2786.19650166873	2785.95851957242	2786.43448376505	2	1	1	1	[10][M]+		9
+M317T3108	M317.1751T3107.8886	317.175138417075	317.152969745373	317.197307088776	3107.88861213879	3085.65740827442	3130.11981600315	2	1	1	1			223
+M318T2785	M318.0000T2785.4105	318	318	318	2785.41047994888	2784.38647613272	2786.43448376505	2	1	1	1	[10][M+1]+		9
+M321T3656	M321.1502T3656.1409	321.150163808505	321.150163808505	321.150163808505	3656.14094100736	3656.14094100736	3656.14094100736	1	1	0	1			81
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+M324T3269	M324.1632T3268.9697	324.163232182158	324.163232182158	324.163232182158	3268.96974769859	3268.96974769859	3268.96974769859	1	1	0	1			127
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+M336T2782	M336.0000T2781.7512	336	336	336	2781.7512370527	2781.7512370527	2781.7512370527	1	1	0	1			163
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+M343T2760	M343.1104T2759.5948	343.110449180027	343.100006103516	343.120892256538	2759.59483629387	2758.29746752256	2760.89220506517	2	1	1	1			76
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+M344T3123	M344.1415T3122.9766	344.141484137807	344.140580502418	344.142387773196	3122.97663855902	3102.11354086908	3143.83973624896	2	1	1	1			61
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+M345T3345	M345.1865T3344.8830	345.186521039045	345.186521039045	345.186521039045	3344.8830334256	3344.8830334256	3344.8830334256	1	0	1	1			5
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+M351T3489	M351.1050T3489.0966	351.105041876581	351.095746176414	351.114337576747	3489.096645854	3488.90266427616	3489.29062743184	2	1	1	1			56
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+M480T3307	M480.1634T3307.0620	480.163397828385	480.158725729587	480.168069927183	3307.06201384669	3306.85319731944	3307.27083037394	2	1	1	1	[36][M]+		2
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