Mercurial > repos > recetox > mfassignr_kmdnoise

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 7d98b78ae27b24ee581d40ff0b624d7ecb288030
author recetox
date Fri, 01 Nov 2024 08:19:22 +0000
parents f60df05dd038
children
line wrap: on
line source

"exp_mass"	"abundance"	"RT"
110.034862660799	3410926.86205497	190.037359229162
110.059881368434	7658687.858	241.176455510842
110.060155925495	14169261.3453452	126.578474277734
110.068249041523	5981809.78715792	374.063274801774
110.323599507564	1414755.17364696	991.149608364062
111.043788975043	21010220.7087587	170.235668271814
111.044417964538	2568209.94206428	458.245950725024
111.080228379889	2617672.69872138	563.843051056632
111.080698136927	7052807.13140026	162.38939636965
111.080699019192	11841286.8462777	396.316756321048
111.116842664683	1024424.07639695	832.105747318363
111.564097738785	1926937.06026668	384.279930130954
112.03936	56583334.7428677	126.124589464499
112.050657915704	154367494.546663	161.480610813597
112.050658130501	46867366.8664264	204.144512257813
112.062757235437	1230982.21227085	676.631998163943
112.075493594782	4242904.21147189	723.21180365005
112.075810256158	171092477.109241	253.462196694484
112.075969472371	33078580.0735479	266.357876406038
112.086969072411	206343462.335205	158.286828046295
112.111960625433	4899489.29765733	162.629357147908
112.111961975029	1845742.46743264	512.394476383657
112.275895100855	1952665.26561093	533.116785475645
112.326359831796	964152.719082733	723.52445544019
112.968743999283	895211.727390823	1226.55776251301
112.968905754024	729558.797583191	1318.97924643184
113.023059974325	3868548.16597958	679.742669222975
113.042086990678	6245091.93054719	255.305253544248
113.05337719108	16452905.9303285	205.368022677001
113.059668300037	34089624.9593056	175.588810777774
113.059750299613	109164662.210703	129.616524856628
113.0599931707	4167251.595	767.147290876195
113.061283056682	24512823.6694931	595.873812706229
113.095974560582	7767230.987	504.28366032144
113.132134766644	16478528.5512244	250.854319331316
113.550861942052	4306530.69182016	514.558893219894
113.550862152018	3876612.91678672	532.276788228421
113.565314868401	2120065.31160487	669.706687552608
113.97681880974	418381.297433403	1316.75210251161
114.036926733067	1793179.61852298	186.995530285644
114.037254247616	61589847.2989209	364.888145227828
114.054947285381	42946593.2169644	126.124840392481
114.066185832318	78085622.5346441	850.220015257138
114.066346601484	485782043.361118	126.124713159872
114.066346601556	68214768.6993518	148.715607357819
114.091362846879	49226945.8975461	221.642586013361
114.091363065905	493441329.112858	264.321341492921
114.091363294203	108512075.642685	305.944067503423
114.102647058055	3184215.87373178	161.228096633195
114.127840221213	357097094.980743	585.046479784618
114.128003151966	1634693.45613562	378.183266909801
114.161551984267	4581770.58988967	772.089395951202
114.212310534265	5984718.14967689	928.669507964801
114.549643760985	7986176.87543145	519.627845177149
114.984878217208	11469231.2955035	1319.73880948717
115.021117469748	2943391.8737931	333.006621730351
115.038996485973	95204343.6149802	126.124561596817
115.038997637471	1109559.53732177	448.2546645
115.054231533359	97316198.4500411	486.860812934674
115.075265540226	23920192.6144326	167.40968733339
115.075266471492	5547021.52305911	408.13711103051
115.07526647171	10647257.0334719	444.29085147451
115.075431411708	75254335.0387775	255.255342064005
115.075431642078	12448982.2772318	324.130813941569
115.075764314995	18885559.74	679.530431926474
115.548327231811	6926078.489	672.637223151635
115.992287568503	7270476.87907614	1318.31766230358
116.047120760932	31111478.36	542.050124824285
116.049300193927	22971965.2301446	215.708895087134
116.052991655213	1119230.84965926	382.2798324
116.070396113026	27997068.8675765	160.391865106334
116.070441276061	13616391.69	349.897584359217
116.070608157928	56898688.2906864	126.124874229921
116.07061091248	42902020.7009406	856.191122383501
116.070777123856	25093990.0347784	447.08590567456
116.109457738951	1246616.75158409	134.024109012948
116.142968056409	7435007.60675192	809.452533437492
116.142969384207	5795324.20182131	1163.17464952157
116.143138203847	7192125.117304	1319.23287856476
116.143304647393	7024193.40986252	992.479662696309
116.143393336516	6629493.52326122	1100.68551653144
116.865362905764	406988.110334871	1108.65965584802
116.948138168909	5375722.45095818	1318.20359825544
116.9858230419	152526127.626786	1319.3351343607
117.033376089402	1366762.47061508	324.420439829154
117.040890853322	928612.0446	176.167601583314
117.054445384642	9865596.28922385	133.140281120778
117.054617173705	106351841.6822	604.088170928428
117.069572629504	63116320.3841112	386.001176
117.069742846604	59916324.7610906	448.183657284805
117.069744214032	9866104.91571774	808.046807454078
117.070083035453	65132525.6124874	525.247553400879
117.072974053353	1215998.32827703	852.546579045738
117.110376379199	9248709.50852993	133.394810438406
117.143039576194	9018041.5116963	1233.70933327322
117.254131677182	9195919.242	1233.83424670192
117.365040644954	8348478.2060658	1233.69136105769
117.476192478452	3928905.33628209	1233.95713309348
117.586988977044	526442.478107282	1233.67535179028
117.697770949364	175192.262566792	1233.33546364721
117.958644161265	898744.086398861	126.494527717095
117.982204382278	1209685.37027924	1281.3328407339
118.049814738493	251674.163577789	833.628864481652
118.053600183256	2804068.0466982	550.7671171
118.065132059575	84395604.7536611	247.698440529888
118.065132295962	88294531.4692969	315.898109886546
118.065134167555	4625702.19803668	796.163538913168
118.065304692497	23269232.24879	393.33841819397
118.065403206547	6285249.76320771	201.516491468411
118.086147972768	5591311.6761089	126.125058177346
118.122477956724	1120946.60354248	198.368998108169
118.942610241688	2243854.167	128.818892273051
118.963680399138	5421223.98993878	1313.53962085002
118.97900416082	5160969.8466654	1319.36287346864
118.97917831127	113169021.824684	1319.73893595323
119.01889464742	5849784.35928058	1317.7410419782
119.046252030459	8427228.29547331	669.0211928
119.049041072813	31036054.9520427	745.850153780004
119.075538599334	83718378.0105522	407.85556168305
119.085478343665	331652044.4	445.799815387253
119.884578642803	5950102.0084866	1143.00616429575
119.95868768943	2894075.00888267	1209.48880943202
119.958864666625	1034135.81600422	1317.70865952473
119.99607305071	3373475.1340432	1142.89126312997
120.044063433941	10599747.8401892	747.674424182482
120.044414296426	16891551.0169738	210.43893712067
120.044590791515	279248516.452516	225.90514982622
120.044591021867	72771309.7301822	234.117478278552
120.044591514939	31520088.4702422	393.695376385361
120.044593410378	11370904.8941965	872.0849306
120.069129296274	6099618.34417184	687.534703843388
120.0807812264	119016999.221892	364.039217357367
120.080879253314	1599211827.58835	201.181726615724
120.095790792097	114139602.461004	199.019769354065
120.107513021765	1173226.73118705	1144.04006700897
120.979443582234	46249648.52	1317.51847188143
121.017482263033	6205813.693	228.695436279764
121.028406955477	459446839.554623	216.207347867731
121.028559025627	762712414.571087	224.567988388618
121.028559025773	1595587839.93053	207.696869046148
121.039101228284	8120221.29638624	205.9365023
121.047321528272	12728043.3305773	225.512837873033
121.049288601445	10500149.215119	479.555083036966
121.064480614559	133254582.894892	462.7353718
121.064772496781	430665965.04085	140.85424693604
121.064839051124	31578079.5835462	670.934855605503
121.068054931843	35493422.6588337	279.087336745626
121.073419510236	745060.501820482	697.4012583
121.077447543789	29709024.0559358	202.486048393956
121.101133005817	321389414.137654	422.3570953
121.322470864065	5527698.23581871	697.700873921541
121.403921646866	1046409.23765568	207.053251915101
121.520682297826	3130441.8000658	303.178671046986
121.987245205317	25646669.2449023	1319.66298358494
122.023770558964	46197222.8531441	170.367515031745
122.026846531256	6362908.97557593	452.768288864585
122.026847004153	3231858.68872696	549.344384266869
122.027026907528	4202185.59698008	307.753263832145
122.027750708539	2830448.2760655	391.032356380749
122.06001138574	1915577245.72035	334.258435812046
122.060135404965	300367485.800496	282.061507199384
122.060136631548	59450204.0880919	567.308722482593
122.06013710356	123640301.331084	668.612533432295
122.060137584184	807861988.584759	796.250781641433
122.060315895781	1182879056.94389	129.471146543665
122.096154196267	2649494.05850718	236.637946236698
122.096446615758	2147545397.56696	141.4778941
122.476793620711	755997.785423396	144.654171972059
122.974747399182	14041968.0737547	1291.81588218647
123.007690610167	6853833.37810666	679.104060917116
123.032406859027	3205888.80066454	208.08517716623
123.03277334678	3401961.25431507	226.408495801134
123.044127955122	144603757.515597	250.51457571322
123.044311353059	220145401.346585	309.739054082458
123.044312115776	22600448.3130038	504.432808814696
123.055301718193	1372781.08436488	446.824527092377
123.055302427948	2841148.32608434	608.202430315013
123.055484381603	2490125.49015088	342.550685925489
123.055486332054	33349253.4308188	809.951636744564
123.055486805358	9974143.00940905	945.3898282
123.055801053606	23664230.6684842	126.620638462464
123.08040073282	127628556.180105	447.129013430195
123.080401685686	9946679.26114324	646.257299231897
123.080583711079	104471043.938755	363.036453996828
123.080584214953	44809816.961203	519.229828471245
123.09157768119	22437999.1842464	183.676770395551
123.091682040638	66777852.1229004	142.718723634854
123.109359197103	3829217.3709736	1075.38340500352
123.116871592357	234383113.187024	558.931056651587
123.296532864921	2140059.11136048	468.072896073758
123.36012559272	942577.0875	1075.34512757551
123.982623717381	7870943.69196428	1317.33851830854
124.039513203548	4879141.57337863	764.102689637553
124.039881764366	29574788.2618956	207.234089326018
124.050451255827	17773007.5978902	722.39821922968
124.050634461649	77808477.0410386	171.824454211006
124.050634699808	60915758.8326537	250.999327469282
124.050634948209	49085125.3129241	329.479741492269
124.050639249889	4337720.95140222	1318.52143202385
124.050823508742	6401522.607	1083.70507967903
124.051933551067	3680700.1027597	497.484833222375
124.075667469646	211985284.819728	126.125106112621
124.075670160759	5245057.37410082	823.22398
124.075853167039	58896605.5413915	187.851938811042
124.094957507786	8094651.37722885	169.620286445198
124.348188558877	949582.407905871	1074.59105794788
124.566548850673	1589215.07222806	599.715352586229
124.599018777943	252712.400810398	1077.79453563259
125.005470143924	6929398.98798352	348.499267071883
125.023382532151	143247458.216515	331.730487472646
125.032161122377	6974244.20593218	977.489043378991
125.047220147105	5474044.53235177	179.267943381899
125.059595214589	45273253.424549	335.952980559513
125.059596220818	21273474.6976777	545.163897638413
125.059782634153	42725084.1665631	277.144304693799
125.059782634211	54970915.195144	235.892572801366
125.059783659652	15538450.7734331	488.961456913356
125.059784866958	11921369.5029143	803.941994180041
125.060158747613	10495182.5772349	407.847649795674
125.070670201043	19412020.3728254	727.873220048048
125.070695473342	96225972.8222551	216.169641671013
125.070860508244	5584405.37877711	1318.82282259037
125.071608198832	3113538.803	596.885067025562
125.096198635223	151948609.152091	488.211535098533
125.107464536406	455830943.4	240.711298877985
125.36700500103	5471441.65120971	1280.37744744445
125.478401320027	6126645.407	1280.36554192199
125.589190722525	5973635.265	1280.42515022587
125.700126919646	2307271.44500174	1280.46868498644
125.811210170761	498743.641317114	1281.19171538969
125.92206150611	180336.737529922	1282.40368161511
126.022043790977	5952035.57288893	270.225376001002
126.05489214161	89295822.5214009	126.174900984495
126.054895360419	24884861.9574543	937.5792799
126.066287800241	33019363.65	168.046040868371
126.091363931635	108843424.568772	187.793394023775
126.091363931722	200435316.058808	223.328167249127
126.091364173726	1407209594.58837	240.9020019
126.098014338796	3107499.80224292	241.472126326583
126.102577732802	740813.878663908	974.108204843737
126.102616996785	11245056.3487298	176.181478130742
126.102768698641	2199760.97842734	1207.92297070844
126.56235513801	767657.542173694	852.871605
126.573054572995	652978.827780457	654.497070933579
127.038973541025	115368386.33415	201.423232406822
127.039058673322	185078214.682774	126.125181069972
127.039058673366	381803778.307465	154.69058659011
127.039058916922	80027118.1286337	195.927359304219
127.05001178917	34252371.1878245	193.095261909577
127.050398376694	25194563.8034251	763.249577038916
127.058467363273	915608.648389549	136.524860172203
127.0749988	7798087.65457204	553.244984971629
127.075190047638	37977965.0602011	343.491111578588
127.075191800181	9798270.00136085	743.995538503691
127.075382018668	314289366.585067	228.285989245097
127.075574244373	123543197.168938	277.884007659833
127.086862213345	3323599.74007512	126.493961683736
127.111529666941	2866805.51027015	640.583242632722
127.111720456954	8651209.232	255.986904162816
127.123067150454	2527603.44123199	186.178489958009
127.148077486065	827404.461228302	990.852094528075
127.955908645597	4606154.90470647	1319.35252913267
128.016330210136	1936893.83640679	294.549489694537
128.016525108773	1949250.00630331	426.085333
128.034020990611	11978099.8082362	762.066271039312
128.034212882487	1662767.15624991	126.124858257658
128.045489383611	11174905.5354934	193.507160117305
128.045687083717	151485.897291287	953.335747594207
128.049573305012	18785189.6984353	350.0572106
128.062019397652	63235969.7945116	478.048376052388
128.0703806884	5331112.30448319	342.324010318407
128.070470722732	8026318.07207834	200.890787869242
128.070574428563	52265435.9827916	133.505880390607
128.070574919943	7529815.38460656	266.808049077776
128.070575445908	1309674.37268396	388.30813516859
128.070607678006	6764719.22739731	805.587590973896
128.07077195638	3621321.03754798	830.132877971025
128.106951712501	10820860.5577781	168.031537475983
128.106951958417	18144431.1410201	231.073770448525
128.106952214767	26274137.3068681	340.6145844
128.107146529491	68692223.1	280.272314126499
128.143346280923	1491023.84482362	651.643273158414
128.321250628098	886052.853384906	751.1778486
128.565030679572	3465832.21871748	482.444111178484
128.565226532892	8354098.47286456	533.193044572212
128.583225837141	1770172.38166113	756.982425324613
128.815981276805	2157686.04278924	534.774133663899
128.834229496652	650479.394981968	757.332508928123
128.852482356045	397388.097618346	1109.04367625088
128.963841181848	31114837.2671107	1319.73817599854
129.036991175645	73195889.6109336	180.199723413423
129.037173347776	4352016.27848532	370.14613813841
129.043578405388	599547.412083609	155.879326181089
129.054679883577	95215659.3177834	153.543385978679
129.054876865156	58301382.5652215	197.518928407276
129.065699256643	29250227.7259807	497.614030499694
129.065699256847	31603957.022735	522.196221936044
129.065768050646	25236764.6534314	147.849829823549
129.065895216543	38980313.2311564	315.026926142404
129.065915962286	296109583.848916	300.949890773464
129.069831785863	90089707.2902013	500.357836152438
129.09108390255	65039733.0336424	412.019847053085
129.102106384547	1598802.49995525	235.052620141306
129.127307970296	909498.967565523	720.224363551414
129.138726408858	5795658.21144902	136.170048800824
129.964046126954	230382.021923601	1297.14713300899
129.99565930696	1158613.79139309	201.510264181184
130.032461728547	4862979.0623019	177.985536420099
130.032461728562	3137736.06309963	212.56755055223
130.04042106377	3280118.57087748	180.147590163711
130.049973740964	446610827.859993	314.325533341937
130.049974546925	78605940.5847692	497.22210595891
130.049994644828	2345762308.13112	300.737094671018
130.050172245363	66821973.6381868	179.168364598234
130.050173801868	105133941.928947	530.945400578673
130.064900848611	45829721.8074166	274.257584730657
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250.164616084784	28819426.2095615	483.507462762013
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251.127888348775	337907035.7	589.923095102017
251.12788884478	71290299.71	677.891250549117
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253.105776967921	21018594.5294025	759.499618610675
253.106314880516	175800277.105367	427.4575952018
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253.12738772854	208660580.677272	241.309484146932
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