| Previous changeset 2:a5c84c9c1a28 (2022-09-08) Next changeset 4:966b4134ad12 (2022-10-18) |
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Commit message:
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 38a5028a7abe99794086e9b1374ab4bb8bfa68de |
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modified:
formatter.py matchms_formatter.xml |
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added:
test-data/similarity/matches_test8_out.tsv test-data/similarity/scores_test8_out.tsv |
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| diff -r a5c84c9c1a28 -r 574c6331e9db formatter.py --- a/formatter.py Thu Sep 08 14:49:19 2022 +0000 +++ b/formatter.py Wed Sep 21 15:29:51 2022 +0000 |
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| @@ -1,5 +1,5 @@ import click -from pandas import DataFrame, read_csv +from pandas import DataFrame, read_csv, to_numeric def create_long_table(data: DataFrame, value_id: str) -> DataFrame: @@ -73,8 +73,8 @@ Returns: DataFrame: Joined dataframe on compounds containing scores an matches in long format. """ - matches = read_csv(matches_filename, sep=None, index_col=0) - scores = read_csv(scores_filename, sep=None, index_col=0) + matches = read_csv(matches_filename, sep="\t", index_col=0, header=0).apply(to_numeric) + scores = read_csv(scores_filename, sep="\t", index_col=0, header=0).apply(to_numeric) scores_long = create_long_table(scores, 'score') matches_long = create_long_table(matches, 'matches') @@ -113,11 +113,8 @@ @cli.resultcallback() def write_output(result: DataFrame, scores_filename, matches_filename, output_filename): - input_file = read_csv(scores_filename, sep=None, iterator=True) - sep = input_file._engine.data.dialect.delimiter - result = result.reset_index().rename(columns={'level_0': 'query', 'compound': 'reference'}) - result.to_csv(output_filename, sep=sep, index=False) + result.to_csv(output_filename, sep="\t", index=False) if __name__ == '__main__': |
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| diff -r a5c84c9c1a28 -r 574c6331e9db matchms_formatter.xml --- a/matchms_formatter.xml Thu Sep 08 14:49:19 2022 +0000 +++ b/matchms_formatter.xml Wed Sep 21 15:29:51 2022 +0000 |
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| @@ -1,4 +1,4 @@ -<tool id="matchms_formatter" name="matchms output formatter" version="0.1.3" python_template_version="3.5"> +<tool id="matchms_formatter" name="matchms output formatter" version="0.1.4" python_template_version="3.5"> <description>reformat output tables of matchms</description> <macros> @@ -32,8 +32,8 @@ </configfiles> <inputs> - <param label="Scores Table" name="scores" type="data" format="csv,tabular,tsv" help="Scores output table." /> - <param label="Matches Table" name="matches" type="data" format="csv,tabular,tsv" help="Scores output table." /> + <param label="Scores Table" name="scores" type="data" format="tsv" help="Scores output table." /> + <param label="Matches Table" name="matches" type="data" format="tsv" help="Scores output table." /> <conditional name="method"> @@ -54,7 +54,7 @@ </inputs> <outputs> - <data label="${tool.name} (${method.selection}) on ${on_string}" name="output" format_source="scores"/> + <data label="${tool.name} (${method.selection}) on ${on_string}" name="output" format="tsv"/> </outputs> <tests> |
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| diff -r a5c84c9c1a28 -r 574c6331e9db test-data/similarity/matches_test8_out.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/similarity/matches_test8_out.tsv Wed Sep 21 15:29:51 2022 +0000 |
| [ |
| b"@@ -0,0 +1,387 @@\n+\tPerylene_2H12\tPerylene\tPhenanthrene_2H10\tPhenanthrene\tAnthracene\tAcenaphthylene\tAcenaphthene\tFluoranthene\tPyrene\tpara-Terphenyl\tRetene\tBenzo[b]naphtho[2,1-d]thiophene\t2,3-Benzofluorene\tBenzo[ghi]fluoranthene\tTriphenylene\tBenzanthracene/Benzophenanthrene\tBenzofluoranthene\tBenzo(k)fluoranthene\tBenzo[e]pyrene\tBenzo(a)pyrene\tIndeno[1,2,3-cd]pyrene\tBenzo(g,h,i)perylene\tAnthanthrene\tDibenzanthracene\tCoronene\tDicofol\tBenzophenone\t2-tert-Butyl-4-methoxyphenol\tButylated hydroxytoluene\tBumetrizole\t4-Methylbenzophenone\t2,4,6-Tribromophenol\t2,6-Dichloro-4-nitroaniline\t1-Methylphenanthrene\tTriclosan\tDrometrizole\tEnzacamene\t2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol\tOctrizole\t1,2,7,9-Tetrachlorodibenzofuran\t2,2',3,4,5,5',6-Heptachlorobiphenyl\t2,4,6-Trichlorobiphenyl\t2,2',3,3',4,5',6,6'-Octachlorobiphenyl\tMirex\tbeta-Hexachlorocyclohexane\talpha-1,2,3,4,5,6-Hexachlorocyclohexane\tLindane\tdelta-Hexachlorocyclohexane\tepsilon-Hexachlorocyclohexane\tPentachlorobenzene\tHexachlorobenzene\t2,4'-Dichlorodiphenyldichloroethylene\t2,4'-Dichlorodiphenyldichloroethane\t2,4'-Dichlorodiphenyltrichloroethane\t1,2,7,9-Tetrachlorodibenzo-p-dioxin\t2,4,4'-Trichlorobiphenyl\t2,2',4,5,5'-Pentachlorobiphenyl\t2,3',4,4',5-Pentachlorobiphenyl\t2,2',3,4,4',5'-Hexachlorobiphenyl\t2,2',4,4',5,5'-Hexachlorobiphenyl\t2,2',3,4,4',5,5'-Heptachlorobiphenyl\t2,2',5,5'-Tetrachlorobiphenyl\t2,3',4,6-Tetrachlorobiphenyl\t2,3',5',6-Tetrachlorobiphenyl\t2,2',3,4',5-Pentachlorobiphenyl\t2,3,3',4,5-Pentachlorobiphenyl\t3,3',4,5,5'-Pentachlorobiphenyl\t2,3',4,4',5',6-Hexachlorobiphenyl\t2,3,3',4,5,6-Hexachlorobiphenyl\t2,3,3',4',5',6-Hexachlorobiphenyl\t2,3,3',4',5,6-Hexachlorobiphenyl\t2,3,3',4',5,5',6-Heptachlorobiphenyl\tcis-Prallethrin\ttrans-Prallethrin\tcis-Resmethrin\ttrans-Resmethrin\tcis-Tetramethrin\ttrans-Tetramethrin\tBifenthrin\tFenpropathrin\tcis-Phenothrin\ttrans-Phenothrin\tcis-Cyphenothrin\ttrans-Cyphenothrin\tFlucythrinate_isomer1\tFlucythrinate_isomer2\tcis-Fenvalerate\ttrans-Fenvalerate\tDeltamethrin\tChlorpyrifos oxon\tlambda-Cyhalothrin\tTefluthrin\tTransfluthrin\tcis-Permethrin\ttrans-Permethrin\tcis-Allethrin\ttrans-Allethrin\tcis-Cypermethrin_isomer1\ttrans-Cypermethrin_isomer1\tcis-Cypermethrin_isomer2\ttrans-Cypermethrin_isomer2\tcis-Cyfluthrin_isomer1\ttrans-Cyfluthrin_isomer1\tcis-Cyfluthrin_isomer2\ttrans-Cyfluthrin_Isomer2\t1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin\t1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin\tOctachlorodibenzo-p-dioxin\tOctachlorodibenzofuran\t1,2,3,7,8-Pentachlorodibenzofuran\t1,2,3,4,7,8-Hexachlorodibenzofuran\t1,2,3,4,6,7,8-Heptachlorodibenzofuran\t2,3,7,8-Tetrachlorodibenzofuran\t2,3,7,8-Tetrachlorodibenzo-p-dioxin\t1,2,3,7,8-Pentachlorodibenzo-p-dioxin\t2,3,4,5-Tetrabromo-6-chlorotoluene\t2,3,4,5,6-Pentabromotoluene\t2,3,4,5,6-Pentabromoethylbenzene\t2,3,5,6-Tetrabromo-p-xylene\tAllyl 2,4,6-tribromophenyl ether\t2-Bromoallyl(2,4,6-tribromophenyl) ether\tPentabromobenzene\tHexabromobenzene\t2,3,4,5,6-Pentabromobenzyl alcohol\t2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate\tsyn-Dechlorane plus\tanti-Dechlorane plus\talpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane\tbeta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane\t1,2,5,6-Tetrabromocyclooctane\t1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane\talpha-Amylcinnamaldehyde\ttrans-Cinnamaldehyde\tCitral (Geranial)\t1-Fluronaphthalene\talpha-Hexylcinnamaldehyde\tLilial\talpha-Amylcinnamyl alcohol\tEugenol\tIsoeugenol\t4-Methoxybenzyl alcohol\tMethyleugenol\tCinnamyl alcohol\tBenzyl alcohol\tEstragole\tBenzyl benzoate\tBenzyl cinnamate\tBenzyl salicylate\tCamphor\tEucalyptol\tCoumarin\tLimonene\tIsomethyl-alpha-ionone\tdelta-Iraldeine\tSafrole\tCashmeran\tCelestolide\tPhantolide\tTonalide\tTraseolide\tGalaxolide\tAldrin\tEndosulfan\tHeptachlor\tcis-Heptachlor epoxide\tEndosulfan sulphate\tEndrin ketone\ttrans-Chlordane\tcis-Chlordane\tEndrin aldehyde\tEndrin\t4,4'-Dichlorodiphenyldichloroethylene\tMethoxychlor\t4,4'-Dichlorodiphenyldichloroethane\t4,4'-Dichlorodiphenyltrichloroethane\tTris(4-tert-butylphenyl) phosphate\tTri-n-butyl-phosphate\tTris(1,3-dichloro-2-propy"..b'\t1\t1\t1\t3\t7\t4\t4\t10\t7\t4\t3\t1\t6\t5\t35\t14\t5\t1\t25\t17\t21\t19\t8\t8\t7\t31\t40\t11\t24\t6\t32\t29\t30\t25\t26\t12\t28\t19\t10\t20\t15\t20\t7\t12\t14\t6\t16\t20\t19\t18\t35\t34\t32\t36\t14\t44\t22\t17\t12\t8\t10\t24\t8\t11\t31\t25\t10\t22\t18\t13\t17\t4\t6\t32\t28\t30\t9\t26\t22\t20\t7\t8\t0\t13\t9\t37\t11\t26\t7\t29\t8\t7\t22\t21\t16\t25\t18\t19\t14\t13\t11\t27\t29\t24\t41\t4\t24\t33\t20\t23\t30\t21\t44\t8\t8\t24\t34\t11\t11\t11\t14\t14\t17\t10\t13\t16\t15\t19\t13\t10\t18\t14\t22\t15\t16\t39\t21\t14\t17\t32\t8\t8\t8\t35\t13\t15\t14\t13\t16\t50\t11\t30\t10\t13\t8\t22\t9\t2\t8\t10\t10\t29\t13\t23\t5\t4\t8\t45\t21\t10\t22\t5\t10\t15\t12\t25\t38\t23\t36\t23\t14\t18\t11\t3\t9\t22\t14\t5\t27\t19\t4\t11\t43\t32\t35\t30\t22\t16\t5\t11\t15\t10\t23\t29\t4\t16\t16\t2\t5\t27\t32\t12\t18\t24\t11\t14\t20\t33\t12\t26\t25\t10\t18\t15\t32\t21\t30\t21\t23\t13\t22\t59\t15\t15\t13\t24\t16\t30\t9\t16\t6\t3\t17\t15\t18\t8\t16\t8\t40\t49\t23\t3\t15\t10\t14\t34\t24\t11\t23\t5\t26\t10\t25\t41\t45\t33\t49\t49\t14\t5\t9\t18\t61\t77\t74\t24\t10\t88\t53\t82\t66\n+17-beta-Estradiol\t5\t3\t6\t4\t5\t5\t5\t2\t2\t10\t8\t8\t9\t4\t6\t5\t4\t4\t4\t4\t2\t0\t9\t1\t6\t16\t10\t16\t26\t27\t13\t15\t14\t6\t23\t16\t51\t15\t9\t6\t14\t9\t35\t1\t5\t6\t5\t7\t7\t0\t2\t7\t9\t9\t16\t8\t11\t8\t14\t16\t12\t9\t9\t8\t13\t9\t8\t11\t9\t11\t7\t13\t18\t19\t28\t27\t14\t7\t11\t21\t27\t25\t21\t19\t36\t27\t25\t26\t30\t13\t19\t12\t16\t19\t20\t11\t11\t30\t23\t22\t37\t21\t31\t23\t27\t0\t0\t0\t2\t5\t3\t2\t5\t6\t3\t2\t2\t5\t3\t28\t11\t5\t2\t19\t12\t15\t13\t7\t7\t5\t24\t30\t7\t13\t6\t25\t22\t22\t13\t18\t5\t17\t11\t5\t13\t10\t11\t4\t7\t7\t4\t7\t11\t15\t10\t23\t28\t30\t32\t12\t40\t16\t9\t8\t5\t6\t17\t4\t6\t22\t18\t7\t18\t12\t10\t14\t3\t5\t20\t18\t17\t8\t20\t12\t12\t7\t8\t1\t13\t8\t28\t12\t20\t4\t20\t4\t4\t15\t16\t12\t19\t15\t15\t14\t7\t7\t15\t20\t17\t33\t3\t19\t27\t15\t16\t24\t9\t36\t6\t5\t21\t29\t5\t10\t9\t10\t10\t11\t5\t10\t13\t11\t11\t7\t8\t13\t8\t15\t11\t11\t30\t12\t10\t8\t22\t6\t4\t5\t20\t8\t11\t11\t10\t14\t36\t6\t19\t4\t8\t6\t14\t4\t1\t4\t9\t6\t16\t9\t18\t4\t2\t5\t32\t14\t7\t13\t4\t6\t9\t10\t20\t27\t15\t27\t19\t11\t15\t8\t2\t6\t15\t6\t3\t22\t15\t3\t7\t32\t20\t25\t23\t17\t12\t3\t7\t11\t8\t17\t21\t2\t11\t13\t1\t4\t20\t24\t9\t14\t15\t7\t8\t13\t23\t8\t14\t18\t6\t12\t8\t22\t11\t20\t17\t17\t5\t13\t40\t15\t11\t7\t20\t9\t21\t8\t13\t4\t2\t12\t11\t13\t7\t12\t3\t28\t41\t20\t1\t10\t7\t11\t27\t18\t8\t14\t2\t20\t6\t19\t30\t34\t23\t33\t37\t9\t5\t9\t10\t51\t60\t56\t22\t7\t53\t67\t64\t50\n+Progesterone\t13\t5\t15\t10\t12\t10\t8\t10\t9\t20\t24\t15\t14\t10\t13\t12\t7\t8\t9\t7\t7\t7\t21\t6\t11\t28\t19\t40\t38\t48\t22\t35\t43\t17\t39\t24\t92\t18\t13\t11\t12\t19\t65\t2\t10\t11\t12\t12\t13\t5\t4\t19\t14\t21\t25\t15\t18\t13\t13\t16\t12\t18\t18\t15\t19\t13\t15\t15\t12\t14\t9\t12\t39\t44\t53\t47\t25\t21\t15\t42\t47\t45\t50\t44\t56\t41\t39\t46\t45\t18\t28\t20\t29\t24\t30\t43\t38\t49\t43\t41\t64\t38\t48\t39\t48\t6\t5\t1\t4\t6\t5\t6\t12\t9\t6\t7\t6\t10\t8\t52\t21\t10\t5\t46\t31\t19\t22\t15\t16\t13\t38\t46\t11\t40\t11\t40\t35\t37\t35\t36\t23\t39\t22\t15\t25\t17\t25\t7\t21\t28\t7\t24\t30\t31\t24\t59\t40\t40\t45\t15\t55\t24\t29\t15\t14\t15\t40\t11\t14\t41\t35\t21\t28\t22\t21\t18\t8\t7\t36\t30\t31\t11\t37\t30\t28\t12\t11\t3\t18\t23\t67\t24\t31\t14\t33\t8\t6\t25\t32\t16\t29\t18\t21\t30\t16\t15\t41\t48\t28\t61\t8\t25\t51\t21\t35\t38\t32\t69\t9\t7\t37\t27\t24\t12\t17\t21\t20\t21\t19\t14\t13\t14\t19\t15\t10\t14\t14\t20\t14\t15\t48\t33\t27\t24\t47\t7\t12\t18\t55\t16\t16\t16\t17\t14\t68\t14\t42\t20\t18\t13\t26\t12\t7\t9\t11\t14\t45\t20\t33\t17\t12\t9\t49\t33\t13\t35\t6\t14\t24\t18\t31\t51\t27\t48\t27\t24\t10\t14\t2\t13\t19\t18\t5\t35\t25\t6\t13\t72\t40\t45\t34\t35\t27\t7\t13\t20\t14\t25\t34\t10\t24\t17\t3\t8\t37\t39\t12\t31\t44\t20\t18\t39\t55\t12\t41\t37\t7\t31\t26\t47\t28\t41\t34\t32\t17\t25\t91\t19\t17\t24\t38\t18\t37\t9\t22\t10\t13\t22\t20\t22\t15\t28\t11\t56\t76\t30\t9\t17\t17\t24\t48\t25\t17\t32\t12\t33\t15\t29\t55\t69\t40\t73\t75\t15\t6\t11\t27\t81\t118\t90\t27\t13\t82\t64\t168\t113\n+Testosterone\t10\t3\t13\t8\t10\t9\t6\t9\t8\t20\t23\t16\t16\t5\t11\t9\t3\t4\t4\t3\t6\t6\t18\t5\t9\t25\t14\t37\t34\t38\t17\t33\t36\t16\t31\t18\t70\t16\t9\t10\t11\t18\t46\t2\t5\t7\t8\t7\t9\t3\t1\t16\t12\t19\t17\t14\t15\t11\t12\t12\t11\t17\t19\t14\t15\t11\t11\t11\t9\t11\t6\t10\t36\t38\t42\t43\t22\t20\t9\t28\t37\t36\t38\t34\t42\t31\t26\t34\t34\t15\t19\t15\t22\t15\t21\t37\t33\t36\t31\t28\t53\t30\t35\t27\t38\t2\t2\t0\t3\t3\t2\t2\t9\t8\t3\t3\t1\t4\t3\t45\t18\t5\t1\t37\t25\t18\t16\t11\t12\t11\t34\t43\t11\t37\t10\t35\t36\t34\t35\t33\t21\t39\t21\t14\t24\t13\t19\t5\t20\t25\t6\t23\t31\t29\t23\t56\t34\t33\t37\t16\t37\t21\t23\t11\t10\t9\t35\t8\t9\t35\t29\t18\t18\t18\t18\t17\t6\t6\t26\t17\t21\t8\t31\t18\t17\t7\t10\t1\t16\t23\t60\t23\t27\t8\t28\t6\t5\t19\t23\t12\t22\t16\t15\t21\t11\t7\t40\t43\t27\t52\t6\t20\t50\t20\t30\t34\t28\t62\t9\t6\t37\t25\t22\t11\t13\t19\t17\t18\t14\t9\t10\t11\t15\t11\t8\t11\t9\t16\t11\t12\t42\t33\t26\t19\t38\t6\t11\t14\t46\t15\t14\t14\t16\t11\t55\t12\t38\t18\t15\t9\t26\t12\t7\t8\t8\t14\t37\t17\t25\t14\t9\t8\t35\t34\t7\t25\t5\t15\t21\t20\t24\t43\t27\t36\t25\t23\t10\t12\t2\t12\t20\t16\t5\t28\t23\t3\t10\t65\t30\t38\t34\t31\t19\t8\t9\t18\t7\t17\t29\t6\t15\t17\t1\t4\t34\t34\t7\t19\t39\t14\t16\t35\t46\t11\t38\t27\t6\t28\t24\t36\t21\t32\t33\t33\t15\t21\t69\t19\t15\t20\t30\t10\t29\t7\t18\t9\t8\t16\t14\t16\t14\t24\t8\t41\t63\t25\t7\t15\t13\t14\t38\t21\t13\t27\t9\t27\t14\t18\t45\t52\t35\t56\t59\t13\t6\t10\t20\t52\t79\t64\t21\t13\t66\t50\t113\t130\n' 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| b |
| diff -r a5c84c9c1a28 -r 574c6331e9db test-data/similarity/scores_test8_out.tsv --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/similarity/scores_test8_out.tsv Wed Sep 21 15:29:51 2022 +0000 |
| [ |
| b"@@ -0,0 +1,387 @@\n+\tPerylene_2H12\tPerylene\tPhenanthrene_2H10\tPhenanthrene\tAnthracene\tAcenaphthylene\tAcenaphthene\tFluoranthene\tPyrene\tpara-Terphenyl\tRetene\tBenzo[b]naphtho[2,1-d]thiophene\t2,3-Benzofluorene\tBenzo[ghi]fluoranthene\tTriphenylene\tBenzanthracene/Benzophenanthrene\tBenzofluoranthene\tBenzo(k)fluoranthene\tBenzo[e]pyrene\tBenzo(a)pyrene\tIndeno[1,2,3-cd]pyrene\tBenzo(g,h,i)perylene\tAnthanthrene\tDibenzanthracene\tCoronene\tDicofol\tBenzophenone\t2-tert-Butyl-4-methoxyphenol\tButylated hydroxytoluene\tBumetrizole\t4-Methylbenzophenone\t2,4,6-Tribromophenol\t2,6-Dichloro-4-nitroaniline\t1-Methylphenanthrene\tTriclosan\tDrometrizole\tEnzacamene\t2,4-Di-tert-butyl-6-(5-chloro-2H-benzotriazol-2-yl)phenol\tOctrizole\t1,2,7,9-Tetrachlorodibenzofuran\t2,2',3,4,5,5',6-Heptachlorobiphenyl\t2,4,6-Trichlorobiphenyl\t2,2',3,3',4,5',6,6'-Octachlorobiphenyl\tMirex\tbeta-Hexachlorocyclohexane\talpha-1,2,3,4,5,6-Hexachlorocyclohexane\tLindane\tdelta-Hexachlorocyclohexane\tepsilon-Hexachlorocyclohexane\tPentachlorobenzene\tHexachlorobenzene\t2,4'-Dichlorodiphenyldichloroethylene\t2,4'-Dichlorodiphenyldichloroethane\t2,4'-Dichlorodiphenyltrichloroethane\t1,2,7,9-Tetrachlorodibenzo-p-dioxin\t2,4,4'-Trichlorobiphenyl\t2,2',4,5,5'-Pentachlorobiphenyl\t2,3',4,4',5-Pentachlorobiphenyl\t2,2',3,4,4',5'-Hexachlorobiphenyl\t2,2',4,4',5,5'-Hexachlorobiphenyl\t2,2',3,4,4',5,5'-Heptachlorobiphenyl\t2,2',5,5'-Tetrachlorobiphenyl\t2,3',4,6-Tetrachlorobiphenyl\t2,3',5',6-Tetrachlorobiphenyl\t2,2',3,4',5-Pentachlorobiphenyl\t2,3,3',4,5-Pentachlorobiphenyl\t3,3',4,5,5'-Pentachlorobiphenyl\t2,3',4,4',5',6-Hexachlorobiphenyl\t2,3,3',4,5,6-Hexachlorobiphenyl\t2,3,3',4',5',6-Hexachlorobiphenyl\t2,3,3',4',5,6-Hexachlorobiphenyl\t2,3,3',4',5,5',6-Heptachlorobiphenyl\tcis-Prallethrin\ttrans-Prallethrin\tcis-Resmethrin\ttrans-Resmethrin\tcis-Tetramethrin\ttrans-Tetramethrin\tBifenthrin\tFenpropathrin\tcis-Phenothrin\ttrans-Phenothrin\tcis-Cyphenothrin\ttrans-Cyphenothrin\tFlucythrinate_isomer1\tFlucythrinate_isomer2\tcis-Fenvalerate\ttrans-Fenvalerate\tDeltamethrin\tChlorpyrifos oxon\tlambda-Cyhalothrin\tTefluthrin\tTransfluthrin\tcis-Permethrin\ttrans-Permethrin\tcis-Allethrin\ttrans-Allethrin\tcis-Cypermethrin_isomer1\ttrans-Cypermethrin_isomer1\tcis-Cypermethrin_isomer2\ttrans-Cypermethrin_isomer2\tcis-Cyfluthrin_isomer1\ttrans-Cyfluthrin_isomer1\tcis-Cyfluthrin_isomer2\ttrans-Cyfluthrin_Isomer2\t1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin\t1,2,3,4,6,7,8-Heptachlorodibenzo-p-dioxin\tOctachlorodibenzo-p-dioxin\tOctachlorodibenzofuran\t1,2,3,7,8-Pentachlorodibenzofuran\t1,2,3,4,7,8-Hexachlorodibenzofuran\t1,2,3,4,6,7,8-Heptachlorodibenzofuran\t2,3,7,8-Tetrachlorodibenzofuran\t2,3,7,8-Tetrachlorodibenzo-p-dioxin\t1,2,3,7,8-Pentachlorodibenzo-p-dioxin\t2,3,4,5-Tetrabromo-6-chlorotoluene\t2,3,4,5,6-Pentabromotoluene\t2,3,4,5,6-Pentabromoethylbenzene\t2,3,5,6-Tetrabromo-p-xylene\tAllyl 2,4,6-tribromophenyl ether\t2-Bromoallyl(2,4,6-tribromophenyl) ether\tPentabromobenzene\tHexabromobenzene\t2,3,4,5,6-Pentabromobenzyl alcohol\t2-Ethylhexyl 2,3,4,5-Tetrabromobenzoate\tsyn-Dechlorane plus\tanti-Dechlorane plus\talpha-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane\tbeta-1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane\t1,2,5,6-Tetrabromocyclooctane\t1,1-Dibromo-2,3,3,4,4,5-hexachloro-2-cyclopenta-2,4-dien-1-ylcyclooctane\talpha-Amylcinnamaldehyde\ttrans-Cinnamaldehyde\tCitral (Geranial)\t1-Fluronaphthalene\talpha-Hexylcinnamaldehyde\tLilial\talpha-Amylcinnamyl alcohol\tEugenol\tIsoeugenol\t4-Methoxybenzyl alcohol\tMethyleugenol\tCinnamyl alcohol\tBenzyl alcohol\tEstragole\tBenzyl benzoate\tBenzyl cinnamate\tBenzyl salicylate\tCamphor\tEucalyptol\tCoumarin\tLimonene\tIsomethyl-alpha-ionone\tdelta-Iraldeine\tSafrole\tCashmeran\tCelestolide\tPhantolide\tTonalide\tTraseolide\tGalaxolide\tAldrin\tEndosulfan\tHeptachlor\tcis-Heptachlor epoxide\tEndosulfan sulphate\tEndrin ketone\ttrans-Chlordane\tcis-Chlordane\tEndrin aldehyde\tEndrin\t4,4'-Dichlorodiphenyldichloroethylene\tMethoxychlor\t4,4'-Dichlorodiphenyldichloroethane\t4,4'-Dichlorodiphenyltrichloroethane\tTris(4-tert-butylphenyl) phosphate\tTri-n-butyl-phosphate\tTris(1,3-dichloro-2-propy"..b'0\t0.0\t0.0\t0.05860980998503618\t0.06176815777667292\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.00042177201707408737\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.011761376682153322\t0.0\t0.1845282653807608\t0.0\t0.0\t0.0\t0.3223925833586499\t1.0\t0.0\t0.1799339577619972\n+Progesterone\t0.010911892551774379\t0.03699461868780602\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.03736435876925888\t0.03253351846567154\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.1568148214922427\t0.1284291933618139\t0.1117961823050258\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.28697390898026875\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.003171186893559317\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.10843473240213002\t0.0\t0.0\t0.0\t0.0\t0.0\t0.28127845933453915\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.09504672126265486\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.10123070543058367\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t1.0\t0.0\n+Testosterone\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.036759783227478124\t0.035836364919387\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.088225926347127\t0.11647661445329993\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.19845288859335983\t0.23472336228083662\t0.1558754702103824\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0017290218119619754\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0441493227338622\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0741130378402884\t0.08668157708525433\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.10856477033569693\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.045645307417880907\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.00991892697702752\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.03200183249348084\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.3202317739024974\t0.0\t0.0\t0.0\t0.0\t0.0\t0.008571322838596188\t0.015295084861858975\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.026497694389320044\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.04986230015198786\t0.0\t0.17854447345715546\t0.25167463138494245\t0.0\t0.0\t0.2597923471353117\t0.1799339577619972\t0.0\t1.0\n' 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