Mercurial > repos > recetox > mfassignr_kmdnoise
comparison test-data/isofiltr/iso_out.tabular @ 0:f60df05dd038 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 87bb82e07c57753a71d9ce4efc757c4367200d15
author | recetox |
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date | Thu, 15 Aug 2024 12:02:14 +0000 |
parents | |
children | a7a823839ae3 |
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-1:000000000000 | 0:f60df05dd038 |
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1 "exp_mass" "abundance" "RT" "tag" | |
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1818 365.359162653844 1705674.96524112 973.791015773182 "C13" | |
1819 366.30468283352 694357.146732656 1000.00577372924 "C13" | |
1820 366.347961352772 712981.162832914 922.2647791 "2C13" | |
1821 366.351725823835 1398073.94149581 998.807821109366 "S34" | |
1822 367.229318606303 12411047.0559339 481.936831774206 "C13" | |
1823 367.251039919897 30731944.4319259 531.640264945262 "C13" | |
1824 367.266152483343 37074513.0599055 701.1615645 "C13" | |
1825 367.37573973021 372617918.645821 998.803276125508 "C13" | |
1826 367.37574044013 325799343.733524 1035.83676555593 "C13" | |
1827 368.10438792401 3908589.6128252 502.584926144067 "C13" | |
1828 368.151774320245 114245041.209328 182.73892902396 "C13" | |
1829 368.170735149142 20842921.7266255 385.352846655216 "S34" | |
1830 368.226670072395 3212806.62233828 238.340727984035 "C13" | |
1831 368.2266738 43675932.4474472 564.532078943717 "C13" | |
1832 368.37843497068 34289386.6942108 998.9656946 "2C13" | |
1833 368.378435682768 30982433.984968 1006.90512571459 "2C13" | |
1834 369.099601694694 11162692.6216324 451.034192373692 "C13" | |
1835 369.143375664116 14491415.7424888 337.163536367905 "S34" | |
1836 369.154800312064 32633569.620638 612.407069840937 "2C13_S34" | |
1837 369.172884614153 17085095.6155851 630.7138603 "C13" | |
1838 369.281419756003 56822582.0646984 741.7388688 "C13" | |
1839 369.318561460309 1579179.73608863 810.811007670988 "C13" | |
1840 369.318562214023 318131.344231344 869.657811447072 "C13" | |
1841 370.0835691 9975564.18466649 272.448234650697 "C13" | |
1842 370.083569850596 4140015.06 325.954708367887 "C13" | |
1843 370.083570629006 2145366.39157719 348.316434150191 "C13" | |
1844 370.08452447446 7000487.21618728 237.919489501069 "C13" | |
1845 370.131342700448 34780408.4429727 320.6691797 "C13" | |
1846 370.131342700914 746198263.11308 336.769376391132 "C13" | |
1847 370.193464213601 8484409.679 534.899158478558 "C13" | |
1848 370.200163298396 6142983.84002509 1295.49373938638 "S34" | |
1849 370.251770575759 49099657.479522 241.07210873056 "C13" | |
1850 371.169338777584 58551000.709083 520.472425520938 "C13" | |
1851 371.169340165239 20154749.1667475 625.9421674 "C13" | |
1852 371.188530207238 25138638.806085 461.102195918265 "C13" | |
1853 371.261475519138 20735264.3168274 530.094547558012 "C13" | |
1854 371.261476954972 10332246.8893192 661.245842292544 "C13" | |
1855 371.297958416385 12766324.1402401 783.519616703117 "C13" | |
1856 371.333484341791 1992621.05970255 850.7201765 "C13" | |
1857 372.126919780192 107945298.822869 383.477867939786 "S34" | |
1858 372.163527414721 4579383.788 392.773451867306 "S34" | |
1859 372.179911378762 7976981.56128766 773.595197976519 "S34" | |
1860 372.217487564672 4813716.25899172 580.651827105593 "S34" | |
1861 372.219416290817 1497100.26264929 669.74577955195 "C13" | |
1862 372.292664265419 1460655.45704816 685.414552722416 "C13" | |
1863 373.22169927523 19691767.3297652 503.375063985898 "S34" | |
1864 373.234282002572 3918623.43749998 854.885734836968 "C13" | |
1865 373.240082492944 41675942.7697227 453.813316092342 "C13" | |
1866 373.2400832 119965829.081067 494.077412931301 "C13" | |
1867 373.240084645594 31355833.3795576 607.326248001359 "C13" | |
1868 373.276855960227 28073706.0656714 570.122723330095 "C13" | |
1869 373.349451942568 13987199.7140905 864.227662758961 "C13" | |
1870 373.349452616693 2681553.917 904.011573506005 "C13" | |
1871 374.127023954317 32406190.6534985 230.275580506437 "C13" | |
1872 374.180440523605 76418422.4762462 486.808283442442 "C13" | |
1873 374.231925428263 37498079.46 594.642834247647 "S34" | |
1874 374.231926167282 3716131.09588998 701.144883919936 "S34" | |
1875 374.2756455 3788352.30307217 636.77551233504 "C13" | |
1876 374.275647749204 5113013.5620341 781.317646821672 "C13" | |
1877 374.280508164996 200283.310535141 967.994537850356 "2C13" | |
1878 375.146780099678 39995169.7179401 323.369134023234 "C13" | |
1879 375.146781664934 87482730.3063036 442.953507490408 "C13" | |
1880 375.218946289996 52219591.8880582 556.221466789538 "C13" | |
1881 375.21992306006 20349575.983267 647.903556384219 "C13" | |
1882 375.256011145341 79719471.5909067 528.228854773399 "C13" | |
1883 375.256985915147 314844690.831226 507.080809260237 "C13" | |
1884 375.256986608956 76936698.65 554.073047979028 "C13" | |
1885 375.304793432458 652483.419946664 890.1127403 "C13" | |
1886 375.328208766649 3997234.75937792 814.671531138394 "C13" | |
1887 376.104145160324 3304001.0213229 344.05497018997 "S34" | |
1888 376.247091806488 8200959.49226895 759.862486246939 "S34" | |
1889 376.248068281553 16876896.8766372 485.361338589334 "S34" | |
1890 377.040622911837 4332774.59657445 758.800178336891 "C13" | |
1891 377.180165241516 23883309.148996 611.04110847789 "C13" | |
1892 377.181144469612 17324649.3209351 332.0837433 "C13" | |
1893 377.195891928277 38576129.9708501 524.677014542771 "S34" | |
1894 377.195892625204 32464299.6689346 567.284280690343 "S34" | |
1895 377.195893339639 17019111.6881397 622.24632994822 "S34" | |
1896 377.232270566827 18867425.5394099 781.309624976446 "S34" | |
1897 377.236200370052 19982618.1979907 558.438239920504 "C13" | |
1898 377.344379422407 2033379.708394 929.454946814015 "C13" | |
1899 377.34438014304 13007547.1243819 961.04353845086 "C13" | |
1900 378.138419434454 18974791.176768 355.848254906146 "S34" | |
1901 378.138448686104 50718942.5833651 299.813951784561 "S34" | |
1902 378.146314129803 3264184.61138835 415.926125932401 "C13" | |
1903 378.14631559644 7042581.24850572 554.110367174069 "C13" | |
1904 378.1482868653 36667644.878644 352.986738474531 "C13" | |
1905 378.148287647108 25513530.0970543 419.872948969495 "C13" | |
1906 378.155196544671 52629532.2157234 565.981909766103 "S34" | |
1907 378.193685734241 6909499.03133976 674.492305439085 "S34" | |
1908 378.225267635122 30266308.6734882 479.119318574717 "C13" | |
1909 378.2272431843 42806543.995035 593.2505998 "S34" | |
1910 378.22921515474 16718232.8235739 439.228388481938 "S34" | |
1911 378.264756149401 17579082.5120799 721.014584002252 "S34" | |
1912 379.037944206737 3995113.69992641 759.245619771019 "C13" | |
1913 379.177603939433 343303953.183172 426.098405665521 "C13" | |
1914 379.215260566812 31172261.1365395 711.750177119628 "C13" | |
1915 379.241021932668 26581876.2187518 348.724418847525 "C13" | |
1916 380.031128789745 9419550.73230575 758.693166048628 "S34" | |
1917 380.094755825932 7074313.61330347 273.079300386531 "C13" | |
1918 380.205160399708 28365915.2477464 493.112976477052 "S34" | |
1919 380.20516182221 24090785.4679151 634.753037248417 "S34" | |
1920 380.262868955587 1539159.43098667 646.517702360144 "S34" | |
1921 381.088105822213 5821782.53556854 172.719284206276 "S34" | |
1922 381.101087031311 5515802.49098917 409.243046738295 "C13" | |
1923 381.153007633741 1695100.9728432 560.765586229585 "S34" | |
1924 381.192951173055 421741699.002248 456.395047196956 "C13" | |
1925 381.3388097 10916293.7562661 881.181100198773 "C13" | |
1926 382.185599825935 152733584.255535 355.487362248638 "S34" | |
1927 382.189786215463 57122272.9063043 334.069754589207 "C13" | |
1928 382.300932430894 37040585.1138486 959.519368800331 "C13" | |
1929 382.30093316945 9694186.2321734 1050.45018763647 "C13" | |
1930 382.330021449312 5103980.45336966 865.891262430719 "S34" | |
1931 382.342059842141 502725.236541538 882.611327869491 "2C13" | |
1932 383.096590851192 1551171.79250559 482.444982025527 "S34" | |
1933 383.171061516518 12546121.4074644 612.3543405 "S34" | |
1934 383.172065796685 18388235.8728354 407.378703978739 "C13_S34" | |
1935 383.192531010764 31308419.4433822 201.857912275624 "2C13" | |
1936 384.11083096753 4532978.8216872 413.831068708708 "C13" | |
1937 384.110940648367 10869741.6854737 262.509920124195 "C13" | |
1938 384.126991452785 3871689.76760657 211.240336041533 "S34" | |
1939 384.18559692102 5137033.025 468.31275902028 "C13_S34" | |
1940 384.200756881775 8747105.26268198 646.9231641 "S34" | |
1941 384.749056825308 5011417.61237774 433.642101400451 "C13" | |
1942 385.203153157329 11543429.8172822 408.924966548445 "C13_S34" | |
1943 385.239680915879 9330431.41388302 649.049614772453 "C13" | |
1944 385.276210123594 76445996.2518739 609.183123356531 "C13" | |
1945 385.277225680709 41368651.8178917 689.783371979337 "C13" | |
1946 385.31376250986 773083.987615126 798.0137956 "C13" | |
1947 385.349289415277 3268372.88277227 938.57453606002 "C13" | |
1948 386.126996587411 27799016.7046402 454.617741593421 "C13" | |
1949 386.131065381819 4795568.53010794 153.747491310816 "C13" | |
1950 386.160597955835 4010109.18224218 447.269819006354 "S34" | |
1951 386.162635324377 4783136.56736978 514.541537325204 "S34" | |
1952 386.189112428652 167001549.806457 525.051027916973 "C13" | |
1953 387.218736241891 6580972.09680705 588.506201026743 "C13" | |
1954 387.219755687536 12589652.5888274 398.629045123174 "C13" | |
1955 387.292365918843 41613653.0950232 648.855103710352 "C13" | |
1956 387.29236664509 11498605.7703166 730.262938797022 "C13" | |
1957 388.183711100624 1057206254.9458 670.779770938928 "C13" | |
1958 388.203210082201 99424366.9068995 533.467414394679 "C13" | |
1959 388.255562975565 20011774.2235545 736.130729566873 "C13" | |
1960 389.125510633151 99709411.5562279 326.879354301242 "C13" | |
1961 389.186293912598 101515761.666327 669.1106436 "2C13" | |
1962 389.1955644 6506329.18569615 502.201860287026 "S34" | |
1963 389.199687912129 69651995.1672137 666.373157494838 "C13" | |
1964 389.234718629101 24066290.383011 425.787099065835 "C13" | |
1965 389.26564071635 45422179.4232847 897.4123377 "C13" | |
1966 389.343977144412 12191240.4210758 868.251930589273 "C13" | |
1967 389.345009498244 2052614.29330248 961.526736845391 "C13" | |
1968 389.357380729271 17185076.9794801 998.583529041423 "C13" | |
1969 390.18345529958 160197097.432913 520.60141980722 "C13" | |
1970 390.228968215124 37122010.0937228 678.749997025034 "S34" | |
1971 390.300354010545 684420.393517831 738.142050859628 "S34" | |
1972 391.140851931541 149494619.120021 318.839748087708 "C13" | |
1973 391.158500237882 21943156.7 351.60600199058 "S34" | |
1974 391.178225310801 23837734.3413382 348.515703359982 "C13" | |
1975 391.193798789262 6044687.18816866 399.505987229264 "S34" | |
1976 391.214567201047 6884681.13622099 584.855886538123 "C13" | |
1977 391.214568713114 47176724.8678378 699.065662663147 "C13" | |
1978 391.248836372012 20959968.0858809 666.876085752277 "S34" | |
1979 391.249874082977 22887958.6041545 619.908428213607 "C13" | |
1980 391.250910313127 23848652.8276312 438.072731357627 "C13" | |
1981 391.287263773098 36909494.393662 718.7733226 "C13" | |
1982 391.302843029776 2523319.12345167 661.91090839408 "C13" | |
1983 391.359981420097 1176507.0301679 982.434060345859 "C13" | |
1984 392.104907176347 2448537.02037968 510.279323620251 "C13" | |
1985 392.212585788301 4796156.69168265 201.92241972928 "S34" | |
1986 392.225793835727 64818484.0533654 457.617879699433 "C13" | |
1987 392.225797608127 72605765.366799 709.436698971143 "C13" | |
1988 392.226835400892 2894373.26575952 363.004700739119 "C13" | |
1989 392.226837732176 67003787.1728004 529.52433247458 "C13" | |
1990 392.226838474526 62695266.6406956 617.97067135734 "C13" | |
1991 392.234130539583 9332717.44 241.92765069235 "C13" | |
1992 392.287307983492 18479139.2261961 960.346263249667 "C13" | |
1993 392.343614744918 841173.325060204 922.443105815619 "C13" | |
1994 393.281765341906 18888248.1394903 746.1968593141 "C13" | |
1995 393.290139777322 2936276.30460351 883.856589620221 "2C13" | |
1996 393.318398428819 5324578.47915938 763.7216981 "C13" | |
1997 394.128692856348 16411994.860281 245.306926974178 "S34" | |
1998 394.150745567467 54570897.4392895 412.453177452 "S34" | |
1999 394.234762763208 477300.787062115 360.327037393334 "S34" | |
2000 394.234763575453 1404479.40994606 409.515829745975 "S34" | |
2001 395.11963473545 181269.819756879 755.861548220479 "C13" | |
2002 395.123850495951 920179.611275064 758.062911635093 "S34" | |
2003 395.171280170335 42636135.297387 534.798361702263 "C13" | |
2004 395.173386923806 52175813.7208442 430.479538124095 "C13" | |
2005 395.220833214144 5825345.95267785 874.068463707579 "S34" | |
2006 395.22504745024 47050352.0077557 644.136404939643 "C13" | |
2007 395.331561799432 2019276.63945034 858.149649421687 "C13" | |
2008 395.354768684596 29885759.3116073 902.540939077295 "C13" | |
2009 395.354768684771 29062585.9052668 922.9621973 "C13" | |
2010 395.406464018969 11348576.0107659 1032.97060404408 "C13" | |
2011 396.148493606063 30232564.1691017 201.60510337651 "C13" | |
2012 396.209540155462 26010387.7597353 626.09413956762 "C13" | |
2013 396.252931531978 2193339.37960008 437.590414900345 "S34" | |
2014 396.256108503504 17901770.3899407 546.423433077763 "C13" | |
2015 396.315395511103 1735440.07963304 983.174966203527 "C13" | |
2016 396.409639109885 1378264.43454589 1034.59337367963 "2C13" | |
2017 397.234900723929 2664180.55868429 873.956108710316 "S34" | |
2018 397.239146469518 10751995.2290785 553.765095917058 "C13" | |
2019 397.33372292747 5483199.51087372 845.207389573174 "C13" | |
2020 398.184256599526 34194235.9126804 195.900574016522 "C13" | |
2021 398.18532912362 29999798.7285688 684.122084286588 "C13" | |
2022 398.223711119007 2082303.31417186 339.425625000068 "C13" | |
2023 398.224782990502 2908393.03986367 732.154634526584 "C13" | |
2024 398.232249388173 7740485.79082937 850.252625226135 "S34" | |
2025 399.219441223025 17622945.4719646 659.664598215724 "C13" | |
2026 400.052426609258 2969308.85240635 710.385270213762 "C13" | |
2027 400.139415234607 1069056.898 906.340626305497 "C13_S34" | |
2028 400.141558000443 30245037.7598616 480.726589291181 "C13" | |
2029 400.178079500334 17338134.5364601 476.750134590434 "C13" | |
2030 400.181297408737 6556360.19160619 133.478977346992 "S34" | |
2031 400.212459531765 25754092.5922022 654.175599847101 "S34" | |
2032 401.198403823613 4380775.20964682 677.494377402005 "C13" | |
2033 401.2350685612 2323454.18185849 573.265317217247 "C13" | |
2034 401.271739133246 105732905.557259 509.224505807444 "C13" | |
2035 401.27173987596 175906264.590665 578.976232555743 "C13" | |
2036 402.183662735559 120705270.358352 352.222999513077 "C13" | |
2037 402.219385656362 9755615.787 695.360861155092 "C13" | |
2038 403.2149299 118958241.756049 447.805960612981 "C13" | |
2039 403.28665073732 31203238.2292657 681.2266143 "C13" | |
2040 403.287735955611 120317979.835687 554.442962149814 "C13" | |
2041 403.287736718947 412821033.040121 633.532089385951 "C13" | |
2042 403.360564109363 81532140.03 862.206868149629 "C13" | |
2043 404.134581295073 130229413.117307 268.325387360477 "S34" | |
2044 404.170560488882 4521378.72682644 452.455121165681 "S34" | |
2045 404.177105807233 13600147.7200855 668.719198037615 "C13" | |
2046 404.186915422171 22030091.4707672 352.745742250496 "C13" | |
2047 404.362536245797 20777083.6033034 859.597738706869 "2C13" | |
2048 405.155853603066 24142560.7102766 335.665209172191 "C13" | |
2049 405.156948799365 46422214.59 393.339591444476 "C13" | |
2050 405.158043982505 146988130.596375 453.129765570892 "C13" | |
2051 405.193066269282 105774270.32045 511.02866116585 "C13" | |
2052 405.209486460634 53081796.2239412 677.235971078026 "C13" | |
2053 405.209487221041 27361030.7541519 751.530424983929 "C13_S34" | |
2054 405.226999159025 100244422.659936 625.841143662361 "S34" | |
2055 405.230281552032 27441980.1092626 474.872260616609 "C13" | |
2056 405.30363407249 20145902.398951 642.508977905163 "C13" | |
2057 406.083255997633 19373644.64189 358.382279475118 "C13" | |
2058 406.135975538277 1341854.43329406 824.836251533791 "C13" | |
2059 406.149150046827 126103550.431649 408.296675106128 "S34" | |
2060 406.186498791227 25623387.9284684 481.986563182698 "S34" | |
2061 406.305171133677 410238.5508 1005.57822006349 "C13" | |
2062 406.3073644 1930659.34707923 641.344516068681 "2C13" | |
2063 407.0865791 3293769.40966792 358.526352889808 "2C13" | |
2064 407.136182219607 56121461.2610626 443.419281607364 "C13" | |
2065 407.172561307425 12072076.8661873 345.046046018223 "C13" | |
2066 407.208950246084 411297468.178316 556.889813870245 "C13" | |
2067 407.20895101649 110759908.747059 602.058417716765 "C13" | |
2068 407.331378928477 2111055.45249646 939.21032989194 "C13" | |
2069 408.245230474664 7663523.8361821 706.032540711256 "C13" | |
2070 409.134396236921 73502423.5829436 484.73379299279 "C13" | |
2071 409.225473950299 121299597.116147 598.623947656306 "C13" | |
2072 409.225474 174882844.23869 629.691082627681 "C13" | |
2073 409.22547475838 72629378.0912857 672.03306643442 "C13" | |
2074 409.231024293286 5649639.93700194 305.583391951006 "C13" | |
2075 409.261022595354 7256385.20064617 495.415250165329 "C13" | |
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2077 409.276580361878 6596157.20645876 709.749140460469 "C13" | |
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