Mercurial > repos > recetox > matchms
diff test-data/scores_test2_out.tsv @ 0:30e680e555d4 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
| author | recetox |
|---|---|
| date | Tue, 22 Mar 2022 16:07:32 +0000 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/scores_test2_out.tsv Tue Mar 22 16:07:32 2022 +0000 @@ -0,0 +1,387 @@ + C001 C002 C003 C004 C005 C006 C007 C008 C009 C010 C011 C012 C013 C014 C015 C016 C017 C018 C019 C020 C021 C022 C023 C024 C025 C026 C027 C028 C029 C030 C031 C032 C033 C034 C035 C036 C037 C038 C039 C040 C041 C042 C043 C044 C045 C046 C047 C048 C049 C050 C051 C052 C053 C054 C055 C056 C057 C058 C059 C060 C061 C062 C063 C064 C065 C066 C067 C068 C069 C070 C071 C072 C073 C074 C075 C076 C077 C078 C079 C080 C081 C082 C083 C084 C085 C086 C087 C088 C089 C090 C091 C092 C093 C094 C095 C096 C097 C098 C099 C100 C101 C102 C103 C104 C105 C106 C107 C108 C109 C110 C111 C112 C113 C114 C115 C116 C117 C118 C119 C120 C121 C122 C123 C124 C125 C126 C127 C128 C129 C130 C131 C132 C133 C134 C135 C136 C137 C138 C139 C140 C141 C142 C143 C144 C145 C146 C147 C148 C149 C150 C151 C152 C153 C154 C155 C156 C157 C158 C159 C160 C161 C162 C163 C164 C165 C166 C167 C168 C169 C170 C171 C172 C173 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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tri-o-cresyl phosphate 0.0 0.0 0.0 0.0 0.012109305950233379 0.0 0.0021310706562003836 5.11726432479052e-05 0.0 0.00010010429039833895 0.0 0.0 0.0016506529093779732 0.0048262633789776304 0.0 0.012299348649154912 0.006020741952380407 0.0 0.0 0.00036863673701678515 0.00017611026226217727 0.0 0.0016454329850900064 0.00017685109434169887 0.0 0.0 0.0014449192059979438 0.0 0.0003888981867461236 0.0021867262693352073 0.0 0.0 0.041457380551750155 0.10328400812572491 0.0 0.0 0.0 0.0 0.00038095142261344026 0.27467753933559375 0.0 0.0 0.0023221587674521 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.010440701032659448 0.0 0.0 0.0 0.0 0.0 0.01025325459681435 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0035390221425354185 0.0 0.029611787258124075 0.0 0.0 0.0 0.009633252111216906 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.021487195003457225 0.0 0.06463572447521572 0.00665276304543606 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0020491485324236106 0.0 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0.0014280834073599595 0.0 0.008917024249871274 0.0 0.0 0.0 0.01548233831171855 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0460853773216253 0.007133412750204686 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.03446113009328269 0.0 0.013223700081304367 0.0 0.0009658048713602288 0.0 0.005149647208945886 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.028556329585708543 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.052486092276413585 0.00811079554409455 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.006340580932554174 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tri-p-cresyl-phosphate 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0004666033278166468 0.0 0.0 0.0 0.0 0.0 0.005946350273578861 0.009158148788052965 0.0 0.0 0.0035921287435580354 0.0024485480682832866 0.0 0.0 0.010820853961324603 0.0 0.0 0.004262885752766213 0.0 0.0 0.0 0.0 0.0 0.003278845687733353 0.04190582407061598 0.0 0.0 0.0006062645137683137 0.0 0.000467134812092888 0.04341237082983267 0.0 0.0 0.0006599618921846929 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0015361379486759817 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0014070465210506834 0.0 0.025724712811156698 0.0 0.0 0.0 0.014653136913212059 0.0 0.007336198793535808 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.04038983673431216 0.008198166208309758 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.033161098484487624 0.0 0.0038173598851102245 0.0 0.001009299759338264 0.0 0.004157708756213022 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.030759610097780565 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.10850160289647716 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Isodecyl diphenyl phosphate 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.03649231850926125 0.0 0.0 0.013446125691128314 0.06520110320166875 0.0 0.0 0.0 0.0 0.0 0.005510951769351632 0.0007683442653971714 0.0 0.4122773057565717 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0011787848290443958 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0008677281100954339 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.11252976076423966 0.0 0.008435195208456684 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.001350734085134488 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tris(isopropylphenyl)phosphate 0.017336824319358204 0.0 0.0 0.0 0.011900822904909946 0.0 0.0002876982350526107 0.0012446828957711608 0.00023550942343171069 0.00012721242057550685 0.0 0.0 0.006491796404861694 0.0035308013777180266 0.0 0.042618275169972915 0.03524494245198733 0.0 0.006704213537407247 0.2520159660977677 0.0 0.0 0.00039484757646297207 0.0005634033980502557 0.0 0.18207675907106227 0.001371115647612071 0.0 0.00037269906876348486 0.0013078728291398348 0.0 0.0 0.0163064450927038 0.010161799166679376 0.0 0.0 0.00505915096813637 0.0 0.0 0.007439041165574109 0.0 0.0 0.020547470326919233 0.012366572371392014 0.0 0.0 0.0 0.0 0.0 0.11995167595915297 0.0 0.010260945962009969 0.0 0.01786181589100143 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0006083172121124587 0.0 0.0 0.0 0.002775123852760007 0.0 0.02233792341331633 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.020130300717017435 0.0 0.0008059896499933245 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.014005356003130227 0.0 0.0 0.0 0.0 0.0012696928350013118 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0034644983390978083 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0004252822919717031 0.49189510336864195 0.0 0.0 0.0 0.0 0.0 0.0 0.020202034111700594 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0449470954588726 0.02362829109876454 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tris(3,5-xylenyl)phosphate 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0007044478140254384 0.0 0.0 0.0002832205132578818 0.017255180717532324 0.0 0.01039368614530655 0.0 0.0 0.0 0.0 0.0 0.0 0.0011201473649682006 0.0 0.0 0.028219850554559053 0.002035141349922368 0.0 0.0 0.0 0.0 0.0 0.013537886376592586 0.0010346070906223793 0.0 0.0 0.03310390049720926 0.0 0.0 0.011398145344255073 0.0 0.0 0.004077602542442653 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.002507195110136537 0.0 0.0 0.0 0.0 0.0 0.0 0.06013266056367986 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.007368697241257193 0.0 0.10598560335138614 0.0 0.0 0.0 0.0 0.01790528964845304 0.0 0.0 0.004816230209514116 0.0 0.0 0.0 0.0 0.0 0.0 0.032901178308889084 0.0 0.02654340351662002 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0099765793171851 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.05756111981021594 0.028001472658755584 0.0 0.0 0.0 0.0 0.0 0.0 0.019720960251282147 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tris(2-butoxyethyl) phosphate 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.026075669353978426 0.0 0.007309237762564281 0.0 0.0 0.04504808673386959 0.0 0.0 0.0 0.0 0.0004579735419869076 0.0 0.001622574630001803 0.002778765236081446 0.0 0.0 0.003196352655044224 0.0 0.009904159438859916 0.0 0.0 0.0 0.01681602969406159 0.0038028673441786124 0.08190774313427894 0.0 0.0 0.0 0.0 0.012323872024601872 0.0 0.0 0.0 0.0 0.004055388718998769 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0011087316224719114 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0034132145926588776 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.018223169253269483 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0307993304460042 0.0 0.0013850990298693293 0.08633455125827726 0.0 0.0 0.0 0.01151489611038757 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0021876709977648313 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.003840416793510265 0.06874140394468171 0.5586258801148255 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.008342150525801997 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tris(2-chloroethyl) phosphate 0.03505847365096222 0.0 0.0 0.0 0.0 0.0 0.004986670728283548 0.0 0.0 0.0 0.00871194067531006 0.0 0.07289725313517811 0.0 0.0 0.11496649652551237 0.018756730039866835 0.0 0.0 0.0 0.0 0.0 0.007314319831028011 0.0 0.0 0.12463212830535526 0.0 0.0 0.003309002284805976 0.03677131311651516 0.0 0.0 0.0 0.0 0.0 0.0 0.0003551011664716488 0.0 0.0 0.0 0.0 0.0 4.754870320241599e-05 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.004145548481597353 0.0 0.0 0.0 0.0 0.0 0.0 0.000797447688804734 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.02767699662380916 0.0 0.0 0.0 0.0 0.0 0.0 0.0005246957453609188 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.18663818217616354 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tris(1-chloro-2-propyl) phosphate 0.013867098455157306 8.497606104771806e-05 0.0 0.0 0.0 0.0 0.0 0.0037359373569748095 0.0 0.0 0.025251815316448274 0.0 0.06795961720357079 0.0 2.2699721529647516e-05 0.0024758312956042533 0.0 0.0 0.0 0.006652594094146234 0.0 0.0 0.0 0.0 0.0 0.0 0.0007503996465135646 0.0 0.00959124007977155 0.030473125297967297 0.0 0.0 0.0015177298655174641 0.016260601651873426 0.0 0.0 0.0 0.006734634300249442 0.0 0.0 0.0 0.0 0.18286563173415651 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0007844271731527916 0.0 0.0 0.011092233433176696 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.047558386112022656 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0013519141516981149 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0033848637566186615 0.0 0.0 0.0 0.0 0.0 0.0 0.10566593958628615 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5409762397334478 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 +Tris(2-ethylhexyl) phosphate 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.04178759188963638 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0814419524658027 0.0 0.0 0.0 0.0 0.0 0.0 0.0421033314177758 0.0 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