Mercurial > repos > recetox > mfassignr_mfassign

view test-data/isofiltr/iso_out.tabular @ 5:0492fff60960 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 1e98df2131b9b5384ca2e4310f93270eae6f517c
author recetox
date Tue, 22 Oct 2024 07:25:13 +0000
parents 5aa9380f397b
children 22c80f584bb1
line wrap: on
line source

"exp_mass"	"abundance"	"RT"	"tag"
113.078867711323	10856352.0612991	255.495714595229	"C13"
113.090172373815	8370692.32293615	158.462652540267	"C13"
115.040321986961	909159.537929233	366.655821895108	"C13"
115.069539985264	6581046.23251126	132.562157943402	"C13"
115.131111377029	14880836.1485577	585.556750480188	"C13"
116.061884233659	1661621.01652146	522.795728613138	"S34"
116.078638189251	2017285.35814463	256.905038983635	"C13"
117.073651207815	1174701.81899267	138.329496890117	"C13"
118.073051988952	2235958.54676245	452.667819322799	"C13"
120.959269153813	206698.748217415	1267.73460304239	"S34"
121.071632066997	15462519.7038931	697.394492186689	"S34"
121.083966387575	3043283.723	399.94281448688	"C13"
121.084051255483	128280247.857923	200.706629713409	"C13"
122.031551099361	20655052.1237303	771.584015914236	"C13"
122.0315534	9940300.296	1313.80257595528	"C13"
122.031729582056	53410998.8063454	224.66676457537	"C13"
122.031910477811	111453762.090204	207.855893324489	"C13"
122.068097517923	19923361.3294357	134.560305806195	"C13"
122.08095235759	11785299.5368753	805.026483210353	"C13"
122.087386139749	1896509.10568074	201.490048734037	"2C13"
122.087866162656	902223.844718051	146.789486186826	"2C13"
122.104302360443	3702228.14333205	517.439346435902	"C13"
122.104664227996	45834644.7589558	451.428059293806	"C13"
123.063543841242	191874150.034898	130.722274615262	"C13"
123.063546510562	62566753.4627965	808.256072714365	"C13"
123.099824445622	158058706.914094	144.428309130286	"C13"
124.06658314368	343101.213107542	820.985915501143	"2C13"
124.08364385516	1765025.9984599	430.784974611848	"C13"
124.1201914546	2347926.98273942	571.894264658544	"C13"
125.042985164085	1438560.39709255	201.143244744296	"C13"
125.053777158964	1688554.43595077	172.184013307158	"C13"
125.079302156723	5022524.97487107	128.510278774351	"C13"
125.079302396304	8226155.64887711	188.565466810419	"C13"
126.06305935713	1271525.28533158	275.177115882414	"C13"
126.074455881465	4323189.613	220.270968989695	"C13"
126.099725500351	5545222.87299676	495.674608161137	"C13"
126.11036604119	20829955.2467533	240.764539328004	"C13"
127.094606764129	89754033.2853384	242.464694692271	"C13"
127.094799555443	1497147.71278964	370.546521350628	"C13"
128.042378298237	21780670.9564565	153.604116055352	"C13"
128.042378543629	12979348.1496054	193.175598406305	"C13"
128.042573213577	6620512.28032615	228.8481239	"C13"
128.052878083381	4130756.87510438	186.47744346407	"C13"
128.0787438	14502365.0644164	228.582452419152	"C13"
128.078743814576	1579297.54510004	279.991087949238	"C13"
128.095667582602	1575861.19513099	241.097930625451	"S34"
129.110374172502	2076254.60861031	281.882214428961	"C13"
130.058133206845	7406967.87882237	196.856031124127	"C13_S34"
131.052999530264	9735563.94959597	182.660562257685	"C13"
131.053201641505	3170142.58024636	380.0577569	"C13"
131.053202178097	2251462.35477256	494.887419761995	"C13"
131.053203443073	7573862.14729633	820.336037838285	"C13"
131.053604009986	63722647.0749156	299.462821350667	"C13"
131.060852472723	4400712.13937531	427.7808757	"2C13_S34"
131.068503969048	26231229.6775035	492.099459182915	"C13"
131.068504964141	12605654.8703746	765.644543288795	"C13"
131.068704514041	42003352.307492	318.2711698	"C13"
131.126109471515	4908380.96492325	159.854871889991	"C13"
132.0524023	312302404.350288	425.674932271274	"C13"
132.07215647169	2241154.80690992	427.190623575501	"2C13"
132.073581134255	3485483.25871743	167.141825767445	"C13"
132.08865589821	15563516.7041335	516.445105974097	"C13"
132.089266769812	11776736.2009484	410.336878725298	"C13"
133.047834572022	8755561.54423784	727.868437706346	"C13"
133.048038406221	116667092.908023	234.938347172511	"C13"
133.055659180712	17958481.3849191	429.366136382019	"2C13"
134.039842222173	10483791.5237088	1021.33393897836	"S34"
134.040466951759	3740483.55115033	1021.42063171763	"S34"
134.06768402932	24276987.555326	217.372032775822	"C13"
134.077058368152	7990909.38309117	217.27177508544	"S34"
134.104563201179	79684345.551241	587.216536573762	"C13"
135.063281292177	1109690460.49005	217.255695813165	"C13"
135.063492184054	175041965.103329	268.105610893732	"C13"
135.09951844523	20330248.158712	416.576986401263	"C13"
135.100360224339	23413071.360999	177.403736823517	"C13"
136.066815387418	18908116.5285472	216.848587597452	"2C13"
136.120078464019	44223980.8202886	482.651706705432	"C13"
136.120291016469	52496625.9241248	404.415335732715	"C13"
136.954169325011	14918017.998137	1318.52060623933	"S34"
137.078776483203	32406731.2988578	299.562889110033	"C13"
137.078777332784	6325447.493	488.012772347177	"C13"
137.07899430081	43046581.2876274	825.9784899	"C13"
137.0791406	25319954.6942895	126.510407557562	"C13"
137.115395280107	10770762.152568	199.481542707126	"C13"
138.049162130033	1986072.13189571	162.561193277802	"C13"
138.049162394621	10260242.3434131	209.066260286704	"C13"
138.062769711912	70422417.8690615	258.184450257708	"C13"
138.063314108629	29794269.661075	839.88530752187	"C13"
138.099238456287	4648231.62538286	537.297313750975	"C13"
138.099455695121	19351079.0574898	425.64350278847	"C13"
138.110675328008	11072536.753009	185.434004222516	"C13"
138.135832028234	5003212.8699946	625.152617493589	"C13"
139.057831373523	24854432.3555624	284.984127716004	"C13"
139.058273948014	21625952.429613	819.826903417881	"C13"
139.09458710556	129117856.39186	352.901994889709	"C13"
140.078708440334	7428898.3310765	369.249758276469	"C13"
140.114978877762	4498631.71891998	424.55447367196	"C13"
141.037566735214	918942.17153474	171.456000604238	"C13"
141.050607122313	784537.988320948	935.056068363706	"C13_S34"
141.054425892495	2782103.00057757	335.032221575474	"S34"
141.054430783917	5362904.477	1306.95104236088	"S34"
141.110643664156	2668358.6300737	446.594694475588	"C13"
142.021522859198	8674515.05217724	679.018149104169	"C13"
142.069227283475	6659235.59607189	177.43577320239	"C13"
142.093999353335	2470894.02621714	323.707188704349	"C13"
142.0944542359	3017562.79294109	357.755274035359	"C13"
142.105364042575	184391.087231322	185.961548329891	"C13"
142.105591361514	3551710.13386851	185.234308719105	"C13"
142.130601465324	2720527.72444426	540.421194972998	"C13"
142.131055961991	6967801.44691428	515.634587593467	"C13"
143.089737207852	24913175.754114	168.735880984844	"C13"
144.110140338532	2128449.18959631	501.661746537079	"C13"
144.121050080782	1000154.16757397	153.342617381909	"C13"
144.121282806112	8365481.25758048	240.765046712213	"C13"
145.047918137752	3103875.40964351	317.288946874694	"C13_S34"
145.068315342434	1749241.57425696	521.035767864731	"C13"
145.06854861809	4299406.87124645	248.252551312273	"C13"
145.069255442336	332955.066450752	976.2255562	"C13"
146.089138288007	99898681.9627213	229.351770619046	"C13"
146.104306936828	306058.773933971	886.469217960605	"C13"
147.063087592328	65833970.1622112	1240.06982801114	"C13"
147.063322942874	109716572.178041	350.8575676	"C13"
147.066433242975	140271405.839855	179.812633201252	"C13"
148.047283684365	19857549.6763571	325.5303312	"C13"
148.047525408606	9629588.80345969	294.4360994	"C13"
148.066623815188	2181813.45165625	349.114392299169	"2C13"
148.067365795517	2615849.1102159	180.173452736333	"2C13"
148.083550145682	36058954.2341292	565.6428664	"C13"
148.120070925036	2776063.7162001	621.630110117689	"C13"
148.1203122736	17244140.1080984	498.557253332693	"C13"
149.0423741	4076001.64011686	396.342073946141	"C13"
149.042617976754	18403955.929818	318.572345041402	"C13"
149.042863918439	435619.026087327	650.177913617725	"C13"
149.043108672207	4059949.42706139	790.489569068876	"C13"
149.079005663442	14224383.7973343	389.127785220319	"C13"
149.115161406506	6970590.07315058	241.682288169723	"C13"
149.115163761418	751069.504303786	720.658624246795	"C13"
150.026392826814	19119716.7966121	805.026484557958	"C13"
150.026568267909	1879799.17987165	309.784731775026	"C13"
150.026570646259	42196676.3563163	794.420816972083	"C13"
150.062920209845	796303.366494012	1143.743482	"C13"
150.063070842417	2277839.22050627	503.592661386308	"C13"
150.063071981972	730538.7147	715.106869092601	"C13_S34"
150.099338738694	109582112.792676	413.386194906235	"C13"
150.110936252992	5043781.14064704	179.752376297388	"C13"
150.135620393164	2022385.41673402	518.504570276124	"C13"
150.135621251116	9819727.755	666.794137291631	"C13"
151.030010085611	462179.115246296	794.8293785274	"2C13"
151.094785035254	61669497.8844402	183.751611958711	"C13"
151.102512561933	1550338.86845878	406.926001089248	"2C13"
151.130942214507	7999763.21315154	252.501150001211	"C13"
152.042038880447	2000860.53118946	399.912090990027	"C13"
152.04228982968	33301385.4760669	242.892452488447	"C13"
152.064682100161	144866360.57964	193.331870326872	"C13"
152.064684793533	20643967.1458434	744.2198069	"C13"
152.078775254603	144820877.464714	413.871641030038	"C13"
152.08984847692	23577296.1632371	218.806056533436	"C13"
152.098154363876	2519367.27200007	182.311435834996	"2C13"
152.115022338309	86619756.75	578.6069949	"C13"
152.126350398444	48580190.0696544	239.302718757799	"C13"
152.988511760938	4297821.44614502	159.713929968223	"C13"
153.073681529422	71672818.6575748	158.505337134351	"C13"
153.11028038137	19184566.7614245	224.474358897646	"C13"
153.110534317612	2508425.58537103	130.777354157415	"C13"
153.146387939606	1385405.39271586	323.774450714781	"C13"
153.980391108953	615731.94729253	1317.8726970631	"S34"
154.057848301939	76839693.460119	241.238881668081	"C13"
154.068856585249	1228541411.49577	158.356945865205	"C13"
154.068880855518	163585373.788247	154.081515497891	"C13"
154.069142002181	65089171.6338933	1019.10609207371	"C13"
154.094033658565	2750767.42211013	310.934274367479	"C13"
154.094290985006	29387681.2203539	454.671135980701	"C13"
154.105495532563	1064678.20745027	126.522293614122	"C13"
154.105584461052	1043746.69041269	183.497568852665	"C13"
154.122273679584	4642652.74738274	467.3903058	"S34"
154.1304895	55692321.6416574	404.950359299237	"C13"
154.130490423154	83504661.4511727	529.30027344462	"C13"
154.96478804752	3807942.822	1293.08917154077	"S34"
155.053351773772	52306159.2696192	152.148283932409	"C13"
155.070195189039	17923349.3533541	473.558826772678	"S34"
155.089630226757	4829723.98901755	282.785438426511	"C13"
155.089630227048	25763022.3922417	237.197732007263	"C13"
155.100775358942	793192.586955208	235.927184295437	"C13"
156.053962901498	8722146.27912576	156.048479418765	"S34"
156.065341519348	24119804.7073254	690.056651657142	"S34"
156.065343032025	8426600.88882115	950.894929471218	"S34"
156.065344198883	2512126.84852034	1198.4425678534	"S34"
156.065604077968	2779481.55109187	878.239831353564	"S34"
156.065606697204	5278853.64210409	1319.73825791761	"S34"
156.073711678033	11942742.5642056	260.510242633321	"C13"
156.084963046948	4869475.32746177	229.593842890633	"C13"
156.085224421673	15051723.9992204	168.583345270802	"C13"
157.076434265694	6544725.21215885	165.0536474384	"2C13"
157.076434868121	6901381.17202132	248.088501908465	"2C13"
157.105127565164	66856470.3537794	257.734257279351	"C13"
157.105234154221	46926734.2933103	369.821179316524	"C13"
157.11633204523	3334956.99423638	171.801167899938	"C13"
157.141442779121	11814590.7469631	585.623217760795	"C13"
157.141704932671	14001397.2246878	163.914980818686	"C13"
158.100591714567	759775.667778748	741.021615629369	"C13"
158.125935688343	2831861.73505353	494.572142029925	"C13"
159.030324348763	9163337.8273259	228.412302932491	"C13"
159.083991398209	11796664.9716304	143.084471511557	"C13"
159.084430420286	19923666.9095534	254.492586135556	"C13"
159.157155586542	6748436.88037109	640.177418	"C13"
159.157157750564	244486.240188277	1011.11795077097	"C13"
159.157428361576	1863799.7193248	1305.5592403252	"C13"
160.022870333639	5875238.74	228.182017922698	"S34"
160.032108690588	12843255.9259997	679.211497730134	"C13"
160.104937219775	19180783.5598976	323.482937931994	"C13"
160.119891504342	2538159.54780228	629.527876572005	"C13"
160.120707782884	915289.869917545	718.7518652	"C13"
160.152520307417	25390346.2351124	163.461767944687	"C13"
161.07876985163	25413068.9354421	761.730859190455	"C13"
162.098891801577	98958878.7486113	472.32653241029	"C13"
162.135731705731	1093189.54948648	543.861509858161	"C13"
162.136009049218	16600794.4313455	640.0279019	"C13"
163.058311086897	32148015.0602246	287.160500943062	"C13"
163.094632084701	3614382.61612213	418.643818110741	"C13"
164.04204462987	16258024.7442612	266.884051563241	"C13"
164.042050646681	12965074.6860978	1315.29317090133	"C13"
164.042329495914	22884514.0142232	794.594714114366	"C13"
164.042350246799	22855959.8025283	802.799463173119	"C13"
164.042609178728	10767368.4180247	364.4121703	"C13"
164.078420860249	1268154.59280405	328.815795865457	"C13"
164.078421205768	6985067.4272187	376.763079695374	"C13"
164.078703575507	50251861.9784948	451.471880726613	"C13"
164.115092017902	22767070.6439868	475.561181628646	"C13"
164.126187420082	1503673.49272279	139.5551595	"C13"
165.040690279355	6255982.58455455	133.037830066307	"C13"
165.041545480978	1886992.46654176	452.830059832041	"C13"
165.077399205132	20825813.002299	166.810906352124	"C13"
165.0776155	92829927.1817857	159.493299942245	"C13"
165.110418639811	71847590.0813914	157.577956520824	"C13"
165.146581900801	2256484.91616614	330.094570124794	"C13"
166.032693214862	3484741.9998064	187.749748947323	"S34"
166.03298164342	1447221.20585176	452.361194916058	"S34"
166.05809385444	56141878.6955072	256.487700929703	"C13"
166.080783281006	3972123.19642581	201.280356885063	"2C13"
166.094148326901	39728369.5270568	536.346572160807	"C13"
166.113110934043	564331.596842691	1084.03126739796	"2C13"
166.130346967027	2904042.39058353	553.416156	"C13"
166.130921336582	11546967.4707043	518.4587977	"C13"
167.089418105462	346237674.956384	201.006947983414	"C13"
167.970377429598	385610.453369041	1084.3834029892	"C13"
168.000617171059	284432.470282339	1270.12082433045	"C13"
168.059213271035	925458327.559311	171.860182057072	"C13"
168.059505628131	291814239.994523	185.304857759066	"C13"
168.073832371366	149719441.222397	388.858513420568	"C13"
168.084066651008	3008282.60940508	272.663018284329	"C13"
168.109512534885	33825188.3866021	679.290851793697	"C13"
168.110096210011	262535972.590193	416.39434207331	"C13"
168.120917474802	12091858.9898866	181.910140540421	"C13"
168.120919805237	3369644.64121699	608.904937103649	"C13"
168.146372050022	7335889.19008348	661.566517441977	"C13"
169.068572335097	2600070.70517533	1257.92705219779	"C13_S34"
169.10456416912	1816689.36331411	676.506314429627	"C13"
169.113415860922	4591032.29062972	406.43541816167	"2C13_S34"
170.089422178279	41575991.98	324.423152014439	"C13"
170.100435839433	55753815.1370323	202.333172380411	"C13"
170.125448166927	198853028.054446	569.572653683446	"C13"
170.136760608684	8187629.92471586	165.6461514	"C13"
171.03097307729	8697195.446	170.366664218427	"S34"
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