Mercurial > repos > iuc > dimet_pca_analysis
changeset 3:04c26050d2d0 draft
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/DIMet commit 0e7c185547d51ec3fc8ff2d87ac7e2b6d9ae0b0f
| author | iuc |
|---|---|
| date | Mon, 04 Mar 2024 19:58:22 +0000 |
| parents | c0103ea608fc |
| children | 3b9226db8ab6 |
| files | macros.xml test-data/abundance--cell-Control-T0-L-Cycloserine-T0-Tt.tsv test-data/abundance--cell-Control-T2h-Control-T0-Tt.tsv test-data/abundance--cell-Control-T2h-L-Cycloserine-T2h-Tt.tsv test-data/abundance--cell-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv test-data/abundance--med-Control-T0-L-Cycloserine-T0-Tt.tsv test-data/abundance--med-Control-T2h-Control-T0-Tt.tsv test-data/abundance--med-Control-T2h-L-Cycloserine-T2h-Tt.tsv test-data/abundance--med-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv |
| diffstat | 9 files changed, 173 insertions(+), 173 deletions(-) [+] |
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--- a/macros.xml Thu Feb 15 12:51:04 2024 +0000 +++ b/macros.xml Mon Mar 04 19:58:22 2024 +0000 @@ -1,5 +1,5 @@ <macros> - <token name="@TOOL_VERSION@">0.2.1</token> + <token name="@TOOL_VERSION@">0.2.2</token> <token name="@VERSION_SUFFIX@">1</token> <token name="@EXECUTABLE@">pca</token> <xml name="requirements">
--- a/test-data/abundance--cell-Control-T0-L-Cycloserine-T0-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--cell-Control-T0-L-Cycloserine-T0-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,25 +1,25 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment Ctrl_cell_T0-1 Ctrl_cell_T0-2 L-Cyc_cell_T0-1 L-Cyc_cell_T0-2 gmean_1 gmean_2 -L-Tyrosine 0.659969 0.044578 1.0 0.544 1.580048 0 0 1.346502 2.475187 cell 5.059224 5.449813 3.712722 2.974626 5.250888 3.323245 -L-Methionine 0.564183 0.075348 1.0 0.488153 1.47855 0 0 1.21324 2.485367 cell 5.928871 5.711734 4.498494 3.443504 5.81929 3.935808 -L-Aspartic_acid 1.159351 0.071437 1.0 0.435311 2.23357 0 0 1.126485 2.587769 cell 3.824739 2.962785 1.8363 1.23697 3.366286 1.507132 -Ile_Leu 0.693524 0.078103 1.0 0.414254 1.617229 0 0 1.080144 2.607445 cell 4.393714 5.288745 3.31357 2.6813 4.820501 2.980717 -L-Tryptophan 0.837035 0.077877 1.0 0.411565 1.786375 0 0 1.07544 2.613053 cell 3.918551 4.59966 2.843111 1.986607 4.245468 2.376582 -L-Phenylalanine 0.676734 0.082439 1.0 0.397203 1.598517 0 0 1.043392 2.62685 cell 4.492276 5.358136 3.448884 2.731286 4.906142 3.069184 -L-Histidine 0.662413 0.124722 1.0 0.342512 1.582728 0 0 0.893231 2.607882 cell 5.135867 4.726362 3.833131 2.527985 4.926862 3.112892 -L-Lysine 0.700054 0.108484 1.0 0.32716 1.624566 0 0 0.879075 2.68699 cell 4.289814 5.133306 3.410739 2.446316 4.692646 2.888554 -L-Valine 0.48785 0.113542 1.0 0.317079 1.402354 0 0 0.853637 2.692194 cell 6.655174 5.844043 4.990406 3.96298 6.236435 4.44712 -L-Glutamic_acid 0.830004 0.137338 1.0 0.265185 1.777691 0 0 0.723262 2.727386 cell 4.556485 3.416118 2.692856 1.829099 3.945312 2.219347 -L-Serine 0.556596 0.152386 1.0 0.23191 1.470794 0 0 0.638261 2.752194 cell 5.905558 4.753595 4.115334 3.153364 5.298361 3.602381 -Hexose-phosphate 0.76747 0.157597 1.0 0.22649 1.702282 0 0 0.62225 2.747362 cell 4.735898 3.493336 2.871086 1.988536 4.067442 2.389405 -L-Proline 0.519615 0.177905 1.0 0.223644 1.433572 0 0 0.601013 2.687365 cell 6.102914 4.603201 4.002188 3.415549 5.300277 3.697252 -L-Lactic_acid 0.766316 0.216319 1.0 0.194497 1.70092 0 0 0.51042 2.624306 cell 2.828561 4.538379 2.318141 1.914073 3.582887 2.10644 -Hexose 0.648059 0.202852 1.0 0.1683 1.567058 0 0 0.459334 2.729259 cell 5.122919 3.575551 3.116217 2.39366 4.279867 2.731147 -Fumaric_acid 0.623283 0.19388 1.0 0.156841 1.540376 0 0 0.437164 2.787315 cell 3.977834 5.293909 2.506594 3.54067 4.588931 2.979098 -L-Malic_acid 0.276766 0.295582 1.0 0.151833 1.211476 0 0 0.371422 2.446251 cell 8.445961 8.514381 8.074539 6.06813 8.480102 6.999811 -L-Arginine 0.574794 0.200943 1.0 0.144438 1.489464 0 0 0.403393 2.792837 cell 4.234461 5.565819 3.831068 2.772982 4.854714 3.259368 -L-Threonine 0.540842 0.220629 1.0 0.113082 1.454821 0 0 0.316715 2.800767 cell 5.715582 4.30713 3.990415 2.914815 4.961628 3.410472 -L-Glutamine 0.98619 0.263749 1.0 0.087801 1.980946 0 0 0.237703 2.707301 cell 3.806965 2.018081 1.780378 1.099664 2.77178 1.39922 -Glycine 0.567169 0.318145 1.0 -0.012773 1.481613 0 0 -0.035287 2.762706 cell 5.028385 3.20148 3.236767 2.265679 4.012265 2.708039 -Pyruvic_acid 0.472738 0.490805 1.0 -0.131405 1.387741 0 0 -0.317152 2.413541 cell 1.811325 4.224866 2.158282 1.84113 2.766334 1.993409 -L-Alanine 0.440859 0.494601 1.0 -0.237912 1.357412 0 0 -0.631111 2.652708 cell 4.684396 2.511054 3.142165 2.031688 3.42969 2.526638 -Fructose_1,6-bisphosphate 2.638184 1 1 2.0 cell 3.220864 1.220864 3.220864 1.220864 +L-Tyrosine 0.659969 0.044578 1.0 0.544 1.580048 0.0 0.0 1.346502 2.475187 cell 5.059224 5.449813 3.712722 2.974626 5.250888 3.323245 +L-Aspartic_acid 1.159351 0.071437 1.0 0.435311 2.23357 0.0 0.0 1.126485 2.587769 cell 3.824739 2.962785 1.8363 1.23697 3.366286 1.507132 +L-Methionine 0.564183 0.075348 1.0 0.488153 1.47855 0.0 0.0 1.21324 2.485367 cell 5.928871 5.711734 4.498494 3.443504 5.81929 3.935808 +L-Tryptophan 0.837035 0.077877 1.0 0.411565 1.786375 0.0 0.0 1.07544 2.613053 cell 3.918551 4.59966 2.843111 1.986607 4.245468 2.376582 +Ile_Leu 0.693524 0.078103 1.0 0.414254 1.617229 0.0 0.0 1.080144 2.607445 cell 4.393714 5.288745 3.31357 2.6813 4.820501 2.980717 +L-Phenylalanine 0.676734 0.082439 1.0 0.397203 1.598517 0.0 0.0 1.043392 2.62685 cell 4.492276 5.358136 3.448884 2.731286 4.906142 3.069184 +L-Lysine 0.700054 0.108484 1.0 0.32716 1.624566 0.0 0.0 0.879075 2.68699 cell 4.289814 5.133306 3.410739 2.446316 4.692646 2.888554 +L-Valine 0.48785 0.113542 1.0 0.317079 1.402354 0.0 0.0 0.853637 2.692194 cell 6.655174 5.844043 4.990406 3.96298 6.236435 4.44712 +L-Histidine 0.662413 0.124722 1.0 0.342512 1.582728 0.0 0.0 0.893231 2.607882 cell 5.135867 4.726362 3.833131 2.527985 4.926862 3.112892 +L-Glutamic_acid 0.830004 0.137338 1.0 0.265185 1.777691 0.0 0.0 0.723262 2.727386 cell 4.556485 3.416118 2.692856 1.829099 3.945312 2.219347 +L-Serine 0.556596 0.152386 1.0 0.23191 1.470794 0.0 0.0 0.638261 2.752194 cell 5.905558 4.753595 4.115334 3.153364 5.298361 3.602381 +Hexose-phosphate 0.76747 0.157597 1.0 0.22649 1.702282 0.0 0.0 0.62225 2.747362 cell 4.735898 3.493336 2.871086 1.988536 4.067442 2.389405 +L-Proline 0.519615 0.177905 1.0 0.223644 1.433572 0.0 0.0 0.601013 2.687365 cell 6.102914 4.603201 4.002188 3.415549 5.300277 3.697252 +Fumaric_acid 0.623283 0.19388 1.0 0.156841 1.540376 0.0 0.0 0.437164 2.787315 cell 3.977834 5.293909 2.506594 3.54067 4.588931 2.979098 +L-Arginine 0.574794 0.200943 1.0 0.144438 1.489464 0.0 0.0 0.403393 2.792837 cell 4.234461 5.565819 3.831068 2.772982 4.854714 3.259368 +Hexose 0.648059 0.202852 1.0 0.1683 1.567058 0.0 0.0 0.459334 2.729259 cell 5.122919 3.575551 3.116217 2.39366 4.279867 2.731147 +L-Lactic_acid 0.766316 0.216319 1.0 0.194497 1.70092 0.0 0.0 0.51042 2.624306 cell 2.828561 4.538379 2.318141 1.914073 3.582887 2.10644 +L-Threonine 0.540842 0.220629 1.0 0.113082 1.454821 0.0 0.0 0.316715 2.800767 cell 5.715582 4.30713 3.990415 2.914815 4.961628 3.410472 +L-Glutamine 0.98619 0.263749 1.0 0.087801 1.980946 0.0 0.0 0.237703 2.707301 cell 3.806965 2.018081 1.780378 1.099664 2.77178 1.39922 +L-Malic_acid 0.276766 0.295582 1.0 0.151833 1.211476 0.0 0.0 0.371422 2.446251 cell 8.445961 8.514381 8.074539 6.06813 8.480102 6.999811 +Glycine 0.567169 0.318145 1.0 -0.012773 1.481613 0.0 0.0 -0.035287 2.762706 cell 5.028385 3.20148 3.236767 2.265679 4.012265 2.708039 +Pyruvic_acid 0.472738 0.490805 1.0 -0.131405 1.387741 0.0 0.0 -0.317152 2.413541 cell 1.811325 4.224866 2.158282 1.84113 2.766334 1.993409 +L-Alanine 0.440859 0.494601 1.0 -0.237912 1.357412 0.0 0.0 -0.631111 2.652708 cell 4.684396 2.511054 3.142165 2.031688 3.42969 2.526638 +Fructose_1,6-bisphosphate 2.638184 1.0 1.0 2.0 cell 3.220864 1.220864 3.220864 1.220864
--- a/test-data/abundance--cell-Control-T2h-Control-T0-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--cell-Control-T2h-Control-T0-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,25 +1,25 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment Ctrl_cell_T2h-1 Ctrl_cell_T2h-2 Ctrl_cell_T0-1 Ctrl_cell_T0-2 gmean_1 gmean_2 -L-Tryptophan -0.777998 0.034692 0.69385 0.664552 0.583176 0 0 1.541549 2.319681 cell 2.660282 2.70099 4.242539 4.979963 2.680559 4.596486 -L-Aspartic_acid -2.274085 0.039066 0.781312 0.556683 0.206744 0 0 1.374553 2.469185 cell 0.327076 0.791534 2.796261 2.166087 0.508814 2.461086 -L-Lysine -0.558396 0.071556 1.0 0.497716 0.679057 0 0 1.23415 2.479625 cell 3.776027 3.993588 5.227738 6.255652 3.883284 5.718646 -L-Arginine -0.658636 0.111701 1.0 0.440969 0.633477 0 0 1.087359 2.465839 cell 3.035924 2.953846 4.123283 5.419685 2.994604 4.72725 -L-Histidine -0.68301 0.090057 1.0 0.413676 0.622865 0 0 1.065086 2.574685 cell 2.578187 3.676926 5.152872 4.742012 3.078929 4.943175 -L-Tyrosine -0.589456 0.191484 1.0 0.235832 0.664593 0 0 0.617152 2.616914 cell 2.671781 4.292502 4.909654 5.288695 3.386536 5.095651 -L-Methionine -0.489868 0.261207 1.0 0.168943 0.71209 0 0 0.427099 2.528072 cell 3.0957 4.99071 5.623772 5.417809 3.930616 5.51983 -L-Phenylalanine -0.608451 0.19931 1.0 0.160334 0.655901 0 0 0.442554 2.760207 cell 2.526754 3.990049 4.432603 5.286961 3.175196 4.840971 -L-Malic_acid -0.842519 0.323037 1.0 0.123892 0.557669 0 0 0.2985 2.409353 cell 1.235551 3.317115 3.615615 3.644904 2.024467 3.63023 -Ile_Leu -0.554218 0.227774 1.0 0.111354 0.681026 0 0 0.309498 2.779406 cell 2.749607 4.283823 4.593321 5.529013 3.43203 5.039497 -L-Lactic_acid -0.468969 0.32893 1.0 0.109159 0.722481 0 0 0.264176 2.420103 cell 3.143658 3.203459 3.467635 5.563761 3.173418 4.39239 -Fumaric_acid -1.082458 0.257085 1.0 0.072691 0.472224 0 0 0.201376 2.770286 cell 0.878066 2.539989 2.741365 3.648352 1.493412 3.162509 -L-Glutamine -1.091499 0.265783 1.0 0.064303 0.469274 0 0 0.177439 2.759429 cell 0.883383 1.753625 3.642812 1.931064 1.244638 2.652264 -L-Glutamic_acid -0.765842 0.325511 1.0 -0.028187 0.58811 0 0 -0.078254 2.776208 cell 1.414087 3.21983 4.190295 3.141576 2.133804 3.628241 -L-Valine -0.345997 0.35338 1.0 -0.044413 0.786764 0 0 -0.120212 2.706693 cell 4.179372 6.167004 6.886065 6.046792 5.07683 6.452798 -L-Threonine -0.463814 0.368868 1.0 -0.099423 0.725067 0 0 -0.278707 2.803234 cell 2.723045 4.443183 5.526279 4.164476 3.47836 4.797297 -Pyruvic_acid 0.905946 0.398774 1.0 -0.124124 1.873772 0 0 -0.34081 2.745715 cell 1.633721 3.592255 0.84654 1.974531 2.422549 1.292873 -Hexose-phosphate -0.60704 0.407318 1.0 -0.137592 0.656542 0 0 -0.378236 2.748963 cell 1.734049 3.685036 4.483012 3.3068 2.527851 3.85025 -Hexose -0.403635 0.446592 1.0 -0.201612 0.755951 0 0 -0.558993 2.772623 cell 2.764282 4.423486 5.536905 3.864493 3.496822 4.625725 -L-Serine -0.31232 0.458611 1.0 -0.2056 0.805345 0 0 -0.560471 2.726026 cell 3.868814 5.868893 6.59484 5.308422 4.765045 5.916772 -Fructose_1,6-bisphosphate 0.0 1.526778 0 1 0.0 2.23249 cell 0.154691 2.387181 0.398015 0.60768 0.398015 -Glycine -0.316365 0.624652 -0.423447 0.803091 0 0 -1.102692 2.604084 cell 2.393939 4.284841 4.998023 3.182149 3.202756 3.988039 -L-Proline -0.168249 0.862102 -0.454948 0.889922 0 0 -1.160081 2.549919 cell 2.590021 5.13994 4.720818 3.560737 3.648637 4.09995 -L-Alanine -0.07162 0.950212 -0.89366 0.951569 0 0 -1.882381 2.106373 cell 1.96331 4.069683 4.057263 2.174882 2.826668 2.970533 +L-Tryptophan -0.777998 0.034692 0.69385 0.664552 0.583176 0.0 0.0 1.541549 2.319681 cell 2.660282 2.70099 4.242539 4.979963 2.680559 4.596486 +L-Aspartic_acid -2.274085 0.039066 0.781312 0.556683 0.206744 0.0 0.0 1.374553 2.469185 cell 0.327076 0.791534 2.796261 2.166087 0.508814 2.461086 +L-Lysine -0.558396 0.071556 1.0 0.497716 0.679057 0.0 0.0 1.23415 2.479625 cell 3.776027 3.993588 5.227738 6.255652 3.883284 5.718646 +L-Histidine -0.68301 0.090057 1.0 0.413676 0.622865 0.0 0.0 1.065086 2.574685 cell 2.578187 3.676926 5.152872 4.742012 3.078929 4.943175 +L-Arginine -0.658636 0.111701 1.0 0.440969 0.633477 0.0 0.0 1.087359 2.465839 cell 3.035924 2.953846 4.123283 5.419685 2.994604 4.72725 +L-Tyrosine -0.589456 0.191484 1.0 0.235832 0.664593 0.0 0.0 0.617152 2.616914 cell 2.671781 4.292502 4.909654 5.288695 3.386536 5.095651 +L-Phenylalanine -0.608451 0.19931 1.0 0.160334 0.655901 0.0 0.0 0.442554 2.760207 cell 2.526754 3.990049 4.432603 5.286961 3.175196 4.840971 +Ile_Leu -0.554218 0.227774 1.0 0.111354 0.681026 0.0 0.0 0.309498 2.779406 cell 2.749607 4.283823 4.593321 5.529013 3.43203 5.039497 +Fumaric_acid -1.082458 0.257085 1.0 0.072691 0.472224 0.0 0.0 0.201376 2.770286 cell 0.878066 2.539989 2.741365 3.648352 1.493412 3.162509 +L-Methionine -0.489868 0.261207 1.0 0.168943 0.71209 0.0 0.0 0.427099 2.528072 cell 3.0957 4.99071 5.623772 5.417809 3.930616 5.51983 +L-Glutamine -1.091499 0.265783 1.0 0.064303 0.469274 0.0 0.0 0.177439 2.759429 cell 0.883383 1.753625 3.642812 1.931064 1.244638 2.652264 +L-Malic_acid -0.842519 0.323037 1.0 0.123892 0.557669 0.0 0.0 0.2985 2.409353 cell 1.235551 3.317115 3.615615 3.644904 2.024467 3.63023 +L-Glutamic_acid -0.765842 0.325511 1.0 -0.028187 0.58811 0.0 0.0 -0.078254 2.776208 cell 1.414087 3.21983 4.190295 3.141576 2.133804 3.628241 +L-Lactic_acid -0.468969 0.32893 1.0 0.109159 0.722481 0.0 0.0 0.264176 2.420103 cell 3.143658 3.203459 3.467635 5.563761 3.173418 4.39239 +L-Valine -0.345997 0.35338 1.0 -0.044413 0.786764 0.0 0.0 -0.120212 2.706693 cell 4.179372 6.167004 6.886065 6.046792 5.07683 6.452798 +L-Threonine -0.463814 0.368868 1.0 -0.099423 0.725067 0.0 0.0 -0.278707 2.803234 cell 2.723045 4.443183 5.526279 4.164476 3.47836 4.797297 +Pyruvic_acid 0.905946 0.398774 1.0 -0.124124 1.873772 0.0 0.0 -0.34081 2.745715 cell 1.633721 3.592255 0.84654 1.974531 2.422549 1.292873 +Hexose-phosphate -0.60704 0.407318 1.0 -0.137592 0.656542 0.0 0.0 -0.378236 2.748963 cell 1.734049 3.685036 4.483012 3.3068 2.527851 3.85025 +Hexose -0.403635 0.446592 1.0 -0.201612 0.755951 0.0 0.0 -0.558993 2.772623 cell 2.764282 4.423486 5.536905 3.864493 3.496822 4.625725 +L-Serine -0.31232 0.458611 1.0 -0.2056 0.805345 0.0 0.0 -0.560471 2.726026 cell 3.868814 5.868893 6.59484 5.308422 4.765045 5.916772 +Glycine -0.316365 0.624652 -0.423447 0.803091 0.0 0.0 -1.102692 2.604084 cell 2.393939 4.284841 4.998023 3.182149 3.202756 3.988039 +L-Proline -0.168249 0.862102 -0.454948 0.889922 0.0 0.0 -1.160081 2.549919 cell 2.590021 5.13994 4.720818 3.560737 3.648637 4.09995 +L-Alanine -0.07162 0.950212 -0.89366 0.951569 0.0 0.0 -1.882381 2.106373 cell 1.96331 4.069683 4.057263 2.174882 2.826668 2.970533 +Fructose_1,6-bisphosphate 0.0 1.526778 0.0 1.0 0.0 2.23249 cell 0.154691 2.387181 0.398015 0.60768 0.398015
--- a/test-data/abundance--cell-Control-T2h-L-Cycloserine-T2h-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--cell-Control-T2h-L-Cycloserine-T2h-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,25 +1,25 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment Ctrl_cell_T2h-1 Ctrl_cell_T2h-2 L-Cyc_cell_T2h-1 L-Cyc_cell_T2h-2 gmean_1 gmean_2 -L-Lactic_acid 0.362066 0.35792 1.0 0.058568 1.285265 0 0 0.142099 2.42622 cell 6.256224 6.375234 3.949014 6.114125 6.315449 4.913732 -L-Arginine 0.181307 0.654333 1.0 -0.072802 1.133911 0 0 -0.192713 2.64707 cell 7.128152 6.935439 5.016926 7.663996 7.031135 6.200782 -L-Tryptophan 0.10835 0.575344 1.0 -0.075459 1.077995 0 0 -0.192682 2.553471 cell 12.591879 12.784561 10.562173 13.115644 12.687854 11.769864 -L-Lysine 0.11389 0.744288 1.0 -0.171533 1.082142 0 0 -0.462286 2.695029 cell 8.023523 8.485809 6.395727 9.090756 8.251429 7.62509 -Fumaric_acid 0.29413 0.461999 0 1 0.700935 2.383081 cell 0.888751 2.570897 3.271832 1.511584 3.271832 -Fructose_1,6-bisphosphate 0.0 1.145529 0 1 0.0 2.287469 cell 0.158501 2.44597 0.543545 0.622647 0.543545 -Pyruvic_acid 0.373873 0.661572 -0.465941 1.295827 0 0 -1.181049 2.534762 cell 1.800099 3.958089 1.423327 2.981148 2.669261 2.05989 -L-Glutamine 0.262582 0.678179 -0.482549 1.199624 0 0 -1.200459 2.487743 cell 2.308578 4.582813 2.09507 3.509037 3.252658 2.711398 -L-Aspartic_acid 0.249699 0.745614 -0.577117 1.188959 0 0 -1.388665 2.406211 cell 1.600511 3.873288 1.467077 2.989176 2.489827 2.094123 -Ile_Leu 0.191338 0.775003 -0.624008 1.141823 0 0 -1.493647 2.393636 cell 3.231426 5.034484 2.640848 4.725073 4.033431 3.53245 -L-Phenylalanine 0.185719 0.785147 -0.638734 1.137383 0 0 -1.519477 2.378888 cell 3.147058 4.969585 2.590697 4.666535 3.95469 3.477007 -L-Tyrosine 0.169586 0.805815 -0.669127 1.124736 0 0 -1.570811 2.347552 cell 3.058614 4.91399 2.566438 4.629425 3.876854 3.446902 -L-Valine 0.154185 0.813025 -0.678125 1.112793 0 0 -1.575671 2.32357 cell 3.58809 5.294519 2.970949 5.163761 4.358579 3.916793 -L-Alanine -0.026254 0.973518 -0.688817 0.981966 0 0 -1.603905 2.328493 cell 2.170343 4.498836 2.479673 4.083578 3.124743 3.182128 -L-Histidine 0.111173 0.829889 -0.704841 1.080106 0 0 -1.624902 2.305344 cell 4.258872 6.073864 3.76852 5.883774 5.086041 4.708834 -L-Malic_acid -0.25568 0.834034 -0.711875 0.837592 0 0 -1.640219 2.304084 cell 1.183028 3.176104 1.535885 3.487112 1.938407 2.314261 -Hexose 0.123989 0.851213 -0.738234 1.089743 0 0 -1.678448 2.273598 cell 3.154886 5.048543 2.774945 4.833334 3.990937 3.662272 -Hexose-phosphate 0.02248 0.937522 -0.772684 1.015704 0 0 -1.725995 2.233767 cell 1.985384 4.219151 2.114313 3.840308 2.894242 2.849493 -L-Glutamic_acid 0.071406 0.898587 -0.786571 1.05074 0 0 -1.739625 2.211657 cell 1.73196 3.943617 1.76515 3.504775 2.613463 2.487258 -L-Proline -0.102609 0.921051 -0.798521 0.931347 0 0 -1.759402 2.203325 cell 2.237976 4.441301 2.617836 4.377238 3.152701 3.385098 -L-Threonine 0.069145 0.906001 -0.827452 1.049095 0 0 -1.803085 2.179081 cell 3.176783 5.183546 3.004465 4.979868 4.057955 3.868054 -L-Serine 0.075222 0.909283 -0.832574 1.053523 0 0 -1.804475 2.167344 cell 3.54649 5.379935 3.212591 5.350965 4.368053 4.146138 -L-Methionine 0.080167 0.913957 -0.840739 1.05714 0 0 -1.816896 2.16107 cell 3.053635 4.922895 2.761825 4.870531 3.877206 3.667636 -Glycine -0.003109 0.981504 -0.842581 0.997848 0 0 -1.822182 2.162619 cell 2.737938 4.900557 2.871164 4.693346 3.66298 3.670881 +L-Lactic_acid 0.362066 0.35792 1.0 0.058568 1.285265 0.0 0.0 0.142099 2.42622 cell 6.256224 6.375234 3.949014 6.114125 6.315449 4.913732 +L-Tryptophan 0.10835 0.575344 1.0 -0.075459 1.077995 0.0 0.0 -0.192682 2.553471 cell 12.591879 12.784561 10.562173 13.115644 12.687854 11.769864 +L-Arginine 0.181307 0.654333 1.0 -0.072802 1.133911 0.0 0.0 -0.192713 2.64707 cell 7.128152 6.935439 5.016926 7.663996 7.031135 6.200782 +Pyruvic_acid 0.373873 0.661572 -0.465941 1.295827 0.0 0.0 -1.181049 2.534762 cell 1.800099 3.958089 1.423327 2.981148 2.669261 2.05989 +L-Glutamine 0.262582 0.678179 -0.482549 1.199624 0.0 0.0 -1.200459 2.487743 cell 2.308578 4.582813 2.09507 3.509037 3.252658 2.711398 +L-Lysine 0.11389 0.744288 1.0 -0.171533 1.082142 0.0 0.0 -0.462286 2.695029 cell 8.023523 8.485809 6.395727 9.090756 8.251429 7.62509 +L-Aspartic_acid 0.249699 0.745614 -0.577117 1.188959 0.0 0.0 -1.388665 2.406211 cell 1.600511 3.873288 1.467077 2.989176 2.489827 2.094123 +Ile_Leu 0.191338 0.775003 -0.624008 1.141823 0.0 0.0 -1.493647 2.393636 cell 3.231426 5.034484 2.640848 4.725073 4.033431 3.53245 +L-Phenylalanine 0.185719 0.785147 -0.638734 1.137383 0.0 0.0 -1.519477 2.378888 cell 3.147058 4.969585 2.590697 4.666535 3.95469 3.477007 +L-Tyrosine 0.169586 0.805815 -0.669127 1.124736 0.0 0.0 -1.570811 2.347552 cell 3.058614 4.91399 2.566438 4.629425 3.876854 3.446902 +L-Valine 0.154185 0.813025 -0.678125 1.112793 0.0 0.0 -1.575671 2.32357 cell 3.58809 5.294519 2.970949 5.163761 4.358579 3.916793 +L-Histidine 0.111173 0.829889 -0.704841 1.080106 0.0 0.0 -1.624902 2.305344 cell 4.258872 6.073864 3.76852 5.883774 5.086041 4.708834 +L-Malic_acid -0.25568 0.834034 -0.711875 0.837592 0.0 0.0 -1.640219 2.304084 cell 1.183028 3.176104 1.535885 3.487112 1.938407 2.314261 +Hexose 0.123989 0.851213 -0.738234 1.089743 0.0 0.0 -1.678448 2.273598 cell 3.154886 5.048543 2.774945 4.833334 3.990937 3.662272 +L-Glutamic_acid 0.071406 0.898587 -0.786571 1.05074 0.0 0.0 -1.739625 2.211657 cell 1.73196 3.943617 1.76515 3.504775 2.613463 2.487258 +L-Threonine 0.069145 0.906001 -0.827452 1.049095 0.0 0.0 -1.803085 2.179081 cell 3.176783 5.183546 3.004465 4.979868 4.057955 3.868054 +L-Serine 0.075222 0.909283 -0.832574 1.053523 0.0 0.0 -1.804475 2.167344 cell 3.54649 5.379935 3.212591 5.350965 4.368053 4.146138 +L-Methionine 0.080167 0.913957 -0.840739 1.05714 0.0 0.0 -1.816896 2.16107 cell 3.053635 4.922895 2.761825 4.870531 3.877206 3.667636 +L-Proline -0.102609 0.921051 -0.798521 0.931347 0.0 0.0 -1.759402 2.203325 cell 2.237976 4.441301 2.617836 4.377238 3.152701 3.385098 +Hexose-phosphate 0.02248 0.937522 -0.772684 1.015704 0.0 0.0 -1.725995 2.233767 cell 1.985384 4.219151 2.114313 3.840308 2.894242 2.849493 +L-Alanine -0.026254 0.973518 -0.688817 0.981966 0.0 0.0 -1.603905 2.328493 cell 2.170343 4.498836 2.479673 4.083578 3.124743 3.182128 +Glycine -0.003109 0.981504 -0.842581 0.997848 0.0 0.0 -1.822182 2.162619 cell 2.737938 4.900557 2.871164 4.693346 3.66298 3.670881 +Fumaric_acid 0.29413 0.461999 0.0 1.0 0.700935 2.383081 cell 0.888751 2.570897 3.271832 1.511584 3.271832 +Fructose_1,6-bisphosphate 0.0 1.145529 0.0 1.0 0.0 2.287469 cell 0.158501 2.44597 0.543545 0.622647 0.543545
--- a/test-data/abundance--cell-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--cell-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,25 +1,25 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment L-Cyc_cell_T2h-1 L-Cyc_cell_T2h-2 L-Cyc_cell_T0-1 L-Cyc_cell_T0-2 gmean_1 gmean_2 -L-Aspartic_acid -1.364433 0.130746 0.522986 0.281466 0.388387 0 0 0.763705 2.713309 cell 0.780152 1.589563 3.493461 2.353268 1.113598 2.867237 -Pyruvic_acid 1.004811 0.273062 1.0 0.153419 2.006681 0 0 0.386767 2.520986 cell 1.764929 3.696632 1.378162 1.175646 2.55427 1.272883 -L-Proline 0.453975 0.375728 1.0 -0.027312 1.36981 0 0 -0.070115 2.567204 cell 3.208945 5.365621 3.27906 2.798417 4.149456 3.029221 -L-Alanine 0.395494 0.490938 1.0 -0.247303 1.315393 0 0 -0.66902 2.705267 cell 3.137119 5.166273 3.806139 2.461006 4.025818 3.060544 -L-Glutamine -0.367891 0.54526 -0.322082 0.774915 0 0 -0.864197 2.683155 cell 2.384944 3.994548 5.068099 3.130351 3.086547 3.98308 -L-Arginine -0.26515 0.569639 -0.353864 0.832112 0 0 -0.942768 2.66421 cell 3.571926 5.456573 6.236136 4.513805 4.414802 5.305535 -Ile_Leu -0.052032 0.999845 -0.372715 0.964577 0 0 -0.987815 2.650324 cell 3.358135 6.008459 5.176894 4.189079 4.491906 4.656868 -Glycine 0.253911 0.601429 -0.381709 1.192436 0 0 -0.98425 2.578534 cell 3.495889 5.714551 4.480139 3.136017 4.469613 3.748305 -L-Tyrosine -0.099074 0.925868 -0.397473 0.933632 0 0 -1.041848 2.621181 cell 3.260853 5.882034 5.240632 4.198784 4.379549 4.690872 -L-Valine -0.012332 0.946093 -0.416211 0.991489 0 0 -1.085262 2.607482 cell 3.532767 6.140249 5.271324 4.186062 4.657475 4.697456 -L-Malic_acid -0.310073 0.749772 -0.421482 0.806601 0 0 -1.063593 2.523462 cell 1.986311 4.509773 4.280295 3.216702 2.99296 3.710584 -L-Phenylalanine -0.117435 0.894656 -0.424837 0.921825 0 0 -1.0998 2.588757 cell 3.230833 5.81959 5.2858 4.186 4.336142 4.703866 -Hexose 0.120435 0.752117 -0.433008 1.087063 0 0 -1.088815 2.51454 cell 3.389891 5.904431 4.695803 3.606988 4.473855 4.115544 -L-Lactic_acid -0.064719 0.922245 -0.455322 0.956131 0 0 -1.16852 2.566358 cell 4.680861 7.247219 6.703809 5.535289 5.824365 6.091594 -L-Serine 0.169053 0.680458 -0.460513 1.12432 0 0 -1.121076 2.434406 cell 3.657336 6.091742 4.795994 3.674918 4.720122 4.1982 -L-Methionine -0.005852 0.938944 -0.468109 0.995952 0 0 -1.196896 2.556876 cell 3.348806 5.905682 5.10358 3.906684 4.447132 4.465207 -Hexose-phosphate 0.13795 0.760717 -0.55418 1.10034 0 0 -1.331177 2.402066 cell 2.942487 5.344553 4.330543 2.999366 3.965637 3.604009 -L-Glutamic_acid -0.007244 0.937477 -0.559258 0.994991 0 0 -1.377884 2.46377 cell 2.49992 4.96369 4.295701 2.917817 3.522617 3.540349 -L-Tryptophan -0.049313 0.852261 -0.581752 0.966396 0 0 -1.40667 2.417988 cell 5.818548 7.225218 8.026356 5.608368 6.483847 6.709304 -L-Threonine 0.007882 0.940534 -0.614186 1.005478 0 0 -1.477656 2.405876 cell 3.659188 6.065064 5.482022 4.004366 4.710967 4.685299 -L-Histidine -0.131769 0.796273 -0.655487 0.912712 0 0 -1.55048 2.365386 cell 3.449234 5.385275 5.81462 3.834795 4.309881 4.722063 -L-Lysine 0.027768 0.93853 -0.883894 1.019434 0 0 -1.871833 2.117711 cell 4.914168 6.984898 6.786001 4.867187 5.858751 5.747063 -Fructose_1,6-bisphosphate 3.516217 1 1 2.0 cell 2.794844 0.794844 2.794844 0.794844 -Fumaric_acid 1.574466 1 0 1.289051 cell 5.258464 2.81012 3.969413 5.258464 3.339839 +L-Aspartic_acid -1.364433 0.130746 0.522986 0.281466 0.388387 0.0 0.0 0.763705 2.713309 cell 0.780152 1.589563 3.493461 2.353268 1.113598 2.867237 +Pyruvic_acid 1.004811 0.273062 1.0 0.153419 2.006681 0.0 0.0 0.386767 2.520986 cell 1.764929 3.696632 1.378162 1.175646 2.55427 1.272883 +L-Proline 0.453975 0.375728 1.0 -0.027312 1.36981 0.0 0.0 -0.070115 2.567204 cell 3.208945 5.365621 3.27906 2.798417 4.149456 3.029221 +L-Alanine 0.395494 0.490938 1.0 -0.247303 1.315393 0.0 0.0 -0.66902 2.705267 cell 3.137119 5.166273 3.806139 2.461006 4.025818 3.060544 +L-Glutamine -0.367891 0.54526 -0.322082 0.774915 0.0 0.0 -0.864197 2.683155 cell 2.384944 3.994548 5.068099 3.130351 3.086547 3.98308 +L-Arginine -0.26515 0.569639 -0.353864 0.832112 0.0 0.0 -0.942768 2.66421 cell 3.571926 5.456573 6.236136 4.513805 4.414802 5.305535 +Glycine 0.253911 0.601429 -0.381709 1.192436 0.0 0.0 -0.98425 2.578534 cell 3.495889 5.714551 4.480139 3.136017 4.469613 3.748305 +L-Serine 0.169053 0.680458 -0.460513 1.12432 0.0 0.0 -1.121076 2.434406 cell 3.657336 6.091742 4.795994 3.674918 4.720122 4.1982 +L-Malic_acid -0.310073 0.749772 -0.421482 0.806601 0.0 0.0 -1.063593 2.523462 cell 1.986311 4.509773 4.280295 3.216702 2.99296 3.710584 +Hexose 0.120435 0.752117 -0.433008 1.087063 0.0 0.0 -1.088815 2.51454 cell 3.389891 5.904431 4.695803 3.606988 4.473855 4.115544 +Hexose-phosphate 0.13795 0.760717 -0.55418 1.10034 0.0 0.0 -1.331177 2.402066 cell 2.942487 5.344553 4.330543 2.999366 3.965637 3.604009 +L-Histidine -0.131769 0.796273 -0.655487 0.912712 0.0 0.0 -1.55048 2.365386 cell 3.449234 5.385275 5.81462 3.834795 4.309881 4.722063 +L-Tryptophan -0.049313 0.852261 -0.581752 0.966396 0.0 0.0 -1.40667 2.417988 cell 5.818548 7.225218 8.026356 5.608368 6.483847 6.709304 +L-Phenylalanine -0.117435 0.894656 -0.424837 0.921825 0.0 0.0 -1.0998 2.588757 cell 3.230833 5.81959 5.2858 4.186 4.336142 4.703866 +L-Lactic_acid -0.064719 0.922245 -0.455322 0.956131 0.0 0.0 -1.16852 2.566358 cell 4.680861 7.247219 6.703809 5.535289 5.824365 6.091594 +L-Tyrosine -0.099074 0.925868 -0.397473 0.933632 0.0 0.0 -1.041848 2.621181 cell 3.260853 5.882034 5.240632 4.198784 4.379549 4.690872 +L-Glutamic_acid -0.007244 0.937477 -0.559258 0.994991 0.0 0.0 -1.377884 2.46377 cell 2.49992 4.96369 4.295701 2.917817 3.522617 3.540349 +L-Lysine 0.027768 0.93853 -0.883894 1.019434 0.0 0.0 -1.871833 2.117711 cell 4.914168 6.984898 6.786001 4.867187 5.858751 5.747063 +L-Methionine -0.005852 0.938944 -0.468109 0.995952 0.0 0.0 -1.196896 2.556876 cell 3.348806 5.905682 5.10358 3.906684 4.447132 4.465207 +L-Threonine 0.007882 0.940534 -0.614186 1.005478 0.0 0.0 -1.477656 2.405876 cell 3.659188 6.065064 5.482022 4.004366 4.710967 4.685299 +L-Valine -0.012332 0.946093 -0.416211 0.991489 0.0 0.0 -1.085262 2.607482 cell 3.532767 6.140249 5.271324 4.186062 4.657475 4.697456 +Ile_Leu -0.052032 0.999845 -0.372715 0.964577 0.0 0.0 -0.987815 2.650324 cell 3.358135 6.008459 5.176894 4.189079 4.491906 4.656868 +Fructose_1,6-bisphosphate 3.516217 1.0 1.0 2.0 cell 2.794844 0.794844 2.794844 0.794844 +Fumaric_acid 1.574466 1.0 0.0 1.289051 cell 5.258464 2.81012 3.969413 5.258464 3.339839
--- a/test-data/abundance--med-Control-T0-L-Cycloserine-T0-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--med-Control-T0-L-Cycloserine-T0-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,20 +1,20 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment Ctrl_med_T0-1 Ctrl_med_T0-2 L-Cyc_med_T0-1 L-Cyc_med_T0-2 gmean_1 gmean_2 -L-Valine -0.06551 0.004613 0.078425 0.830536 0.955607 0 0 1.806475 2.175072 med 42.7862 42.917067 44.961272 44.723542 42.851584 44.842249 -L-Lactic_acid 0.081287 0.035485 0.603247 0.64986 1.057961 0 0 1.519643 2.338416 med 35.285733 35.209883 33.69024 32.947317 35.247788 33.316708 -L-Arginine 0.006662 0.038909 0.661461 0.622566 1.004628 0 0 1.475052 2.369309 med 417.573697 416.802075 415.204388 415.327023 417.187708 415.265701 -L-Proline -0.114311 0.052379 0.890451 0.495962 0.923823 0 0 1.256673 2.533809 med 22.674872 23.296347 25.208681 24.55302 22.983509 24.878691 -Hexose-phosphate -0.152217 0.121088 1.0 0.441254 0.899867 0 0 1.07635 2.439298 med 15.686678 15.672772 18.11207 16.763028 15.679723 17.424498 -L-Tryptophan 0.139342 0.13131 1.0 0.32956 1.101403 0 0 0.861293 2.613467 med 18.793992 19.207497 17.932699 16.59403 18.99962 17.250384 -L-Phenylalanine -0.070754 0.112054 1.0 0.327323 0.95214 0 0 0.875883 2.675902 med 34.932908 35.642687 37.60881 36.51857 35.286013 37.059681 -L-Methionine -0.05948 0.121063 1.0 0.296729 0.95961 0 0 0.804505 2.711241 med 41.3005 42.222702 44.011741 43.027207 41.759055 43.51669 -L-Alanine -0.186768 0.189622 1.0 0.161521 0.878572 0 0 0.450765 2.790747 med 11.17805 12.28269 13.968797 12.733455 11.71736 13.336831 -Ile_Leu -0.067879 0.266664 1.0 0.038434 0.95404 0 0 0.108567 2.824776 med 29.783216 31.074798 32.607992 31.183365 30.422153 31.887724 -Glycine -0.40224 0.406096 1.0 0.003298 0.756683 0 0 0.00781 2.367806 med 3.275612 3.189559 5.557365 3.283422 3.232299 4.271671 -Pyruvic_acid -0.059155 0.334667 1.0 0.001586 0.959826 0 0 0.004213 2.65712 med 33.153112 31.141204 33.798324 33.157325 32.131415 33.47629 -L-Lysine -0.001834 0.946483 1.0 -0.206473 0.99873 0 0 -0.57111 2.766029 med 90.619429 93.385458 92.395033 91.823923 91.992048 92.109035 -L-Threonine -0.019183 0.467268 1.0 -0.208828 0.986792 0 0 -0.562452 2.693379 med 81.007696 78.916447 81.609826 80.445244 79.955235 81.025443 -L-Asparagine 0.051495 0.479539 1.0 -0.240516 1.036338 0 0 -0.659285 2.74113 med 30.611703 29.072045 29.73133 27.870573 29.831943 28.78592 -Hexose 0.007394 0.632326 1.0 -0.248644 1.005138 0 0 -0.634685 2.552587 med 141.526046 144.078633 142.384333 141.749648 142.796636 142.066636 -L-Serine -0.003785 0.885659 1.0 -0.258807 0.99738 0 0 -0.70402 2.720251 med 82.756733 83.460753 84.697551 81.9773 83.107998 83.326326 -L-Histidine 0.020108 0.536681 -0.307902 1.014035 0 0 -0.82449 2.677766 med 66.478417 67.955877 65.278111 67.302907 67.213087 66.282778 -L-Tyrosine -0.024305 0.567197 -0.345223 0.983294 0 0 -0.912759 2.643971 med 49.917227 51.3987 52.561198 50.485941 50.652548 51.51312 +L-Valine -0.06551 0.004613 0.078425 0.830536 0.955607 0.0 0.0 1.806475 2.175072 med 42.7862 42.917067 44.961272 44.723542 42.851584 44.842249 +L-Lactic_acid 0.081287 0.035485 0.603247 0.64986 1.057961 0.0 0.0 1.519643 2.338416 med 35.285733 35.209883 33.69024 32.947317 35.247788 33.316708 +L-Arginine 0.006662 0.038909 0.661461 0.622566 1.004628 0.0 0.0 1.475052 2.369309 med 417.573697 416.802075 415.204388 415.327023 417.187708 415.265701 +L-Proline -0.114311 0.052379 0.890451 0.495962 0.923823 0.0 0.0 1.256673 2.533809 med 22.674872 23.296347 25.208681 24.55302 22.983509 24.878691 +L-Phenylalanine -0.070754 0.112054 1.0 0.327323 0.95214 0.0 0.0 0.875883 2.675902 med 34.932908 35.642687 37.60881 36.51857 35.286013 37.059681 +L-Methionine -0.05948 0.121063 1.0 0.296729 0.95961 0.0 0.0 0.804505 2.711241 med 41.3005 42.222702 44.011741 43.027207 41.759055 43.51669 +Hexose-phosphate -0.152217 0.121088 1.0 0.441254 0.899867 0.0 0.0 1.07635 2.439298 med 15.686678 15.672772 18.11207 16.763028 15.679723 17.424498 +L-Tryptophan 0.139342 0.13131 1.0 0.32956 1.101403 0.0 0.0 0.861293 2.613467 med 18.793992 19.207497 17.932699 16.59403 18.99962 17.250384 +L-Alanine -0.186768 0.189622 1.0 0.161521 0.878572 0.0 0.0 0.450765 2.790747 med 11.17805 12.28269 13.968797 12.733455 11.71736 13.336831 +Ile_Leu -0.067879 0.266664 1.0 0.038434 0.95404 0.0 0.0 0.108567 2.824776 med 29.783216 31.074798 32.607992 31.183365 30.422153 31.887724 +Pyruvic_acid -0.059155 0.334667 1.0 0.001586 0.959826 0.0 0.0 0.004213 2.65712 med 33.153112 31.141204 33.798324 33.157325 32.131415 33.47629 +Glycine -0.40224 0.406096 1.0 0.003298 0.756683 0.0 0.0 0.00781 2.367806 med 3.275612 3.189559 5.557365 3.283422 3.232299 4.271671 +L-Threonine -0.019183 0.467268 1.0 -0.208828 0.986792 0.0 0.0 -0.562452 2.693379 med 81.007696 78.916447 81.609826 80.445244 79.955235 81.025443 +L-Asparagine 0.051495 0.479539 1.0 -0.240516 1.036338 0.0 0.0 -0.659285 2.74113 med 30.611703 29.072045 29.73133 27.870573 29.831943 28.78592 +L-Histidine 0.020108 0.536681 -0.307902 1.014035 0.0 0.0 -0.82449 2.677766 med 66.478417 67.955877 65.278111 67.302907 67.213087 66.282778 +L-Tyrosine -0.024305 0.567197 -0.345223 0.983294 0.0 0.0 -0.912759 2.643971 med 49.917227 51.3987 52.561198 50.485941 50.652548 51.51312 +Hexose 0.007394 0.632326 1.0 -0.248644 1.005138 0.0 0.0 -0.634685 2.552587 med 141.526046 144.078633 142.384333 141.749648 142.796636 142.066636 +L-Serine -0.003785 0.885659 1.0 -0.258807 0.99738 0.0 0.0 -0.70402 2.720251 med 82.756733 83.460753 84.697551 81.9773 83.107998 83.326326 +L-Lysine -0.001834 0.946483 1.0 -0.206473 0.99873 0.0 0.0 -0.57111 2.766029 med 90.619429 93.385458 92.395033 91.823923 91.992048 92.109035
--- a/test-data/abundance--med-Control-T2h-Control-T0-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--med-Control-T2h-Control-T0-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,20 +1,20 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment Ctrl_med_T2h-1 Ctrl_med_T2h-2 Ctrl_med_T0-1 Ctrl_med_T0-2 gmean_1 gmean_2 -L-Asparagine -0.315743 0.028245 0.508416 0.610328 0.803437 0 0 1.473213 2.413806 med 7.730141 8.16053 10.143947 9.633743 7.942421 9.885554 -L-Phenylalanine -0.084598 0.030111 0.541993 0.671736 0.943047 0 0 1.558881 2.320675 med 32.130034 32.052743 33.688915 34.373418 32.091365 34.029445 -L-Threonine -0.106792 0.033603 0.604856 0.631099 0.928651 0 0 1.495659 2.369928 med 25.045012 25.211552 27.41494 26.707211 25.128144 27.058762 -L-Valine -0.067996 0.042832 0.770972 0.607069 0.953962 0 0 1.446278 2.382394 med 39.306545 40.115539 41.561817 41.688939 39.708982 41.625329 -L-Tyrosine -0.113457 0.046722 0.840993 0.530543 0.924371 0 0 1.321767 2.491346 med 23.066568 23.499488 24.821255 25.557914 23.282022 25.186891 -L-Serine -0.118888 0.05061 0.910985 0.560837 0.920897 0 0 1.364531 2.433027 med 22.588437 21.723711 23.952968 24.156738 22.151855 24.054637 -Hexose-phosphate -0.427357 0.062717 1.0 0.581387 0.743623 0 0 1.378344 2.370787 med 5.030212 6.016094 7.400999 7.394438 5.501112 7.397718 -L-Arginine -0.065823 0.085013 1.0 0.501611 0.9554 0 0 1.222599 2.437347 med 39.86267 38.723983 41.16133 41.085269 39.289202 41.123282 -Hexose -0.087076 0.058805 1.0 0.475511 0.941429 0 0 1.21327 2.551509 med 29.894783 30.658183 31.871453 32.446292 30.274077 32.157588 -L-Histidine -0.096367 0.062761 1.0 0.459013 0.935385 0 0 1.179441 2.569515 med 27.526594 26.774502 28.706035 29.344017 27.147944 29.023273 -Glycine -0.100796 0.063723 1.0 0.454918 0.932518 0 0 1.171006 2.574101 med 26.206344 25.541879 28.11598 27.37735 25.871978 27.744207 -Ile_Leu -0.087322 0.110833 1.0 0.415844 0.941268 0 0 1.04462 2.512048 med 28.487629 28.300899 29.532249 30.812947 28.39411 30.165802 -L-Proline -0.427205 0.130273 1.0 0.377685 0.743701 0 0 0.953724 2.525185 med 5.916471 4.533309 6.870195 7.058494 5.178918 6.963708 -L-Methionine -0.104127 0.121198 1.0 0.325756 0.930368 0 0 0.863734 2.651476 med 22.963857 24.192125 25.055859 25.615333 23.569991 25.334052 -L-Lysine -0.042176 0.194447 1.0 0.300247 0.971189 0 0 0.744058 2.478156 med 54.067768 54.127004 54.871062 56.545924 54.097378 55.702198 -L-Lactic_acid -0.056578 0.275137 1.0 0.176712 0.961542 0 0 0.435423 2.464029 med 37.556173 35.609409 38.073438 37.991596 36.569839 38.032495 -L-Tryptophan -0.176081 0.342876 1.0 0.050641 0.885104 0 0 0.126694 2.501802 med 11.638726 9.52248 11.76542 12.024282 10.527561 11.894147 -L-Alanine -0.072231 0.842985 1.0 -0.299141 0.951166 0 0 -0.800552 2.67617 med 6.849088 9.525258 8.100928 8.90148 8.077087 8.491775 -Pyruvic_acid 0.004852 0.940585 -0.575253 1.003369 0 0 -1.407863 2.447382 med 39.928124 38.520261 40.329053 37.881671 39.217875 39.086211 +L-Asparagine -0.315743 0.028245 0.508416 0.610328 0.803437 0.0 0.0 1.473213 2.413806 med 7.730141 8.16053 10.143947 9.633743 7.942421 9.885554 +L-Phenylalanine -0.084598 0.030111 0.541993 0.671736 0.943047 0.0 0.0 1.558881 2.320675 med 32.130034 32.052743 33.688915 34.373418 32.091365 34.029445 +L-Threonine -0.106792 0.033603 0.604856 0.631099 0.928651 0.0 0.0 1.495659 2.369928 med 25.045012 25.211552 27.41494 26.707211 25.128144 27.058762 +L-Valine -0.067996 0.042832 0.770972 0.607069 0.953962 0.0 0.0 1.446278 2.382394 med 39.306545 40.115539 41.561817 41.688939 39.708982 41.625329 +L-Tyrosine -0.113457 0.046722 0.840993 0.530543 0.924371 0.0 0.0 1.321767 2.491346 med 23.066568 23.499488 24.821255 25.557914 23.282022 25.186891 +L-Serine -0.118888 0.05061 0.910985 0.560837 0.920897 0.0 0.0 1.364531 2.433027 med 22.588437 21.723711 23.952968 24.156738 22.151855 24.054637 +Hexose -0.087076 0.058805 1.0 0.475511 0.941429 0.0 0.0 1.21327 2.551509 med 29.894783 30.658183 31.871453 32.446292 30.274077 32.157588 +Hexose-phosphate -0.427357 0.062717 1.0 0.581387 0.743623 0.0 0.0 1.378344 2.370787 med 5.030212 6.016094 7.400999 7.394438 5.501112 7.397718 +L-Histidine -0.096367 0.062761 1.0 0.459013 0.935385 0.0 0.0 1.179441 2.569515 med 27.526594 26.774502 28.706035 29.344017 27.147944 29.023273 +Glycine -0.100796 0.063723 1.0 0.454918 0.932518 0.0 0.0 1.171006 2.574101 med 26.206344 25.541879 28.11598 27.37735 25.871978 27.744207 +L-Arginine -0.065823 0.085013 1.0 0.501611 0.9554 0.0 0.0 1.222599 2.437347 med 39.86267 38.723983 41.16133 41.085269 39.289202 41.123282 +Ile_Leu -0.087322 0.110833 1.0 0.415844 0.941268 0.0 0.0 1.04462 2.512048 med 28.487629 28.300899 29.532249 30.812947 28.39411 30.165802 +L-Methionine -0.104127 0.121198 1.0 0.325756 0.930368 0.0 0.0 0.863734 2.651476 med 22.963857 24.192125 25.055859 25.615333 23.569991 25.334052 +L-Proline -0.427205 0.130273 1.0 0.377685 0.743701 0.0 0.0 0.953724 2.525185 med 5.916471 4.533309 6.870195 7.058494 5.178918 6.963708 +L-Lysine -0.042176 0.194447 1.0 0.300247 0.971189 0.0 0.0 0.744058 2.478156 med 54.067768 54.127004 54.871062 56.545924 54.097378 55.702198 +L-Lactic_acid -0.056578 0.275137 1.0 0.176712 0.961542 0.0 0.0 0.435423 2.464029 med 37.556173 35.609409 38.073438 37.991596 36.569839 38.032495 +L-Tryptophan -0.176081 0.342876 1.0 0.050641 0.885104 0.0 0.0 0.126694 2.501802 med 11.638726 9.52248 11.76542 12.024282 10.527561 11.894147 +L-Alanine -0.072231 0.842985 1.0 -0.299141 0.951166 0.0 0.0 -0.800552 2.67617 med 6.849088 9.525258 8.100928 8.90148 8.077087 8.491775 +Pyruvic_acid 0.004852 0.940585 -0.575253 1.003369 0.0 0.0 -1.407863 2.447382 med 39.928124 38.520261 40.329053 37.881671 39.217875 39.086211
--- a/test-data/abundance--med-Control-T2h-L-Cycloserine-T2h-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--med-Control-T2h-L-Cycloserine-T2h-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,20 +1,20 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment Ctrl_med_T2h-1 Ctrl_med_T2h-2 L-Cyc_med_T2h-1 L-Cyc_med_T2h-2 gmean_1 gmean_2 -L-Phenylalanine -0.227241 0.001876 0.035636 0.905036 0.854267 0 0 1.896738 2.09576 med 11.714351 11.686171 13.781931 13.611089 11.700253 13.696244 -L-Tyrosine -0.210967 0.004909 0.093265 0.822767 0.863958 0 0 1.796671 2.183694 med 12.524246 12.759305 14.555976 14.70794 12.641229 14.631761 -Ile_Leu -0.219893 0.005939 0.112833 0.826897 0.858629 0 0 1.799743 2.176503 med 12.110445 12.031063 14.207566 13.910188 12.070689 14.058091 -L-Valine -0.160198 0.012825 0.24368 0.722278 0.894902 0 0 1.65598 2.292719 med 16.643609 16.986162 18.642142 18.936328 16.814013 18.788659 -L-Threonine -0.159992 0.019541 0.371286 0.7134 0.89503 0 0 1.632915 2.28892 med 16.648332 16.759038 18.937252 18.391953 16.703593 18.662611 -L-Proline -0.98264 0.022874 0.434602 0.658092 0.506053 0 0 1.551275 2.35723 med 2.305637 1.766621 3.856912 4.123851 2.018214 3.988149 -Hexose -0.2207 0.024599 0.467389 0.64383 0.858149 0 0 1.52812 2.373482 med 11.643072 11.940391 14.016554 13.468511 11.790794 13.7398 -Glycine -0.173877 0.028221 0.536206 0.613466 0.886457 0 0 1.477944 2.409171 med 15.362891 14.973364 16.840835 17.382535 15.166877 17.109541 -L-Serine -0.217541 0.030833 0.585825 0.595079 0.86003 0 0 1.446276 2.430393 med 12.143564 11.678687 13.58984 14.10908 11.908857 13.847026 -L-Histidine -0.137109 0.034656 0.658468 0.574503 0.909339 0 0 1.408935 2.45244 med 19.638732 19.102155 21.047667 21.554595 19.368585 21.299623 -L-Methionine -0.207039 0.045452 0.863579 0.525451 0.866313 0 0 1.3152 2.502993 med 12.063407 12.708642 14.023842 14.5664 12.381822 14.292547 -L-Lysine -0.025559 0.104493 1.0 0.448561 0.98244 0 0 1.10921 2.472817 med 100.041785 100.151388 102.514602 101.260598 100.096571 101.885671 -Hexose-phosphate -0.359685 0.092784 1.0 0.440559 0.779335 0 0 1.109796 2.519066 med 5.940748 7.105089 8.214885 8.459814 6.496887 8.33645 -L-Asparagine -0.341921 0.124809 1.0 0.353378 0.78899 0 0 0.914077 2.586687 med 6.281405 6.631133 7.54521 8.868092 6.453901 8.179952 -L-Lactic_acid -0.10481 0.179465 1.0 0.178872 0.929927 0 0 0.498003 2.784136 med 22.37888 21.218847 22.876883 24.002983 21.791146 23.43317 -L-Arginine -0.030855 0.279162 1.0 0.132376 0.97884 0 0 0.337068 2.546283 med 67.988605 66.046493 68.325673 68.592776 67.010514 68.459094 -L-Alanine -0.443451 0.222838 1.0 0.113513 0.735373 0 0 0.3169 2.79175 med 3.755311 5.222638 5.539538 6.547061 4.428615 6.022266 -Pyruvic_acid -0.070842 0.413764 1.0 -0.116088 0.952082 0 0 -0.307971 2.652915 med 23.31152 22.489558 23.003549 25.142473 22.896851 24.049243 -L-Tryptophan 0.004678 0.946377 1.0 -0.26993 1.003247 0 0 -0.736036 2.726765 med 14.996403 12.269638 13.157757 13.893793 13.564676 13.520767 +L-Phenylalanine -0.227241 0.001876 0.035636 0.905036 0.854267 0.0 0.0 1.896738 2.09576 med 11.714351 11.686171 13.781931 13.611089 11.700253 13.696244 +L-Tyrosine -0.210967 0.004909 0.093265 0.822767 0.863958 0.0 0.0 1.796671 2.183694 med 12.524246 12.759305 14.555976 14.70794 12.641229 14.631761 +Ile_Leu -0.219893 0.005939 0.112833 0.826897 0.858629 0.0 0.0 1.799743 2.176503 med 12.110445 12.031063 14.207566 13.910188 12.070689 14.058091 +L-Valine -0.160198 0.012825 0.24368 0.722278 0.894902 0.0 0.0 1.65598 2.292719 med 16.643609 16.986162 18.642142 18.936328 16.814013 18.788659 +L-Threonine -0.159992 0.019541 0.371286 0.7134 0.89503 0.0 0.0 1.632915 2.28892 med 16.648332 16.759038 18.937252 18.391953 16.703593 18.662611 +L-Proline -0.98264 0.022874 0.434602 0.658092 0.506053 0.0 0.0 1.551275 2.35723 med 2.305637 1.766621 3.856912 4.123851 2.018214 3.988149 +Hexose -0.2207 0.024599 0.467389 0.64383 0.858149 0.0 0.0 1.52812 2.373482 med 11.643072 11.940391 14.016554 13.468511 11.790794 13.7398 +Glycine -0.173877 0.028221 0.536206 0.613466 0.886457 0.0 0.0 1.477944 2.409171 med 15.362891 14.973364 16.840835 17.382535 15.166877 17.109541 +L-Serine -0.217541 0.030833 0.585825 0.595079 0.86003 0.0 0.0 1.446276 2.430393 med 12.143564 11.678687 13.58984 14.10908 11.908857 13.847026 +L-Histidine -0.137109 0.034656 0.658468 0.574503 0.909339 0.0 0.0 1.408935 2.45244 med 19.638732 19.102155 21.047667 21.554595 19.368585 21.299623 +L-Methionine -0.207039 0.045452 0.863579 0.525451 0.866313 0.0 0.0 1.3152 2.502993 med 12.063407 12.708642 14.023842 14.5664 12.381822 14.292547 +Hexose-phosphate -0.359685 0.092784 1.0 0.440559 0.779335 0.0 0.0 1.109796 2.519066 med 5.940748 7.105089 8.214885 8.459814 6.496887 8.33645 +L-Lysine -0.025559 0.104493 1.0 0.448561 0.98244 0.0 0.0 1.10921 2.472817 med 100.041785 100.151388 102.514602 101.260598 100.096571 101.885671 +L-Asparagine -0.341921 0.124809 1.0 0.353378 0.78899 0.0 0.0 0.914077 2.586687 med 6.281405 6.631133 7.54521 8.868092 6.453901 8.179952 +L-Lactic_acid -0.10481 0.179465 1.0 0.178872 0.929927 0.0 0.0 0.498003 2.784136 med 22.37888 21.218847 22.876883 24.002983 21.791146 23.43317 +L-Alanine -0.443451 0.222838 1.0 0.113513 0.735373 0.0 0.0 0.3169 2.79175 med 3.755311 5.222638 5.539538 6.547061 4.428615 6.022266 +L-Arginine -0.030855 0.279162 1.0 0.132376 0.97884 0.0 0.0 0.337068 2.546283 med 67.988605 66.046493 68.325673 68.592776 67.010514 68.459094 +Pyruvic_acid -0.070842 0.413764 1.0 -0.116088 0.952082 0.0 0.0 -0.307971 2.652915 med 23.31152 22.489558 23.003549 25.142473 22.896851 24.049243 +L-Tryptophan 0.004678 0.946377 1.0 -0.26993 1.003247 0.0 0.0 -0.736036 2.726765 med 14.996403 12.269638 13.157757 13.893793 13.564676 13.520767
--- a/test-data/abundance--med-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv Thu Feb 15 12:51:04 2024 +0000 +++ b/test-data/abundance--med-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv Mon Mar 04 19:58:22 2024 +0000 @@ -1,20 +1,20 @@ metabolite log2FC pvalue padj distance/span FC count_nan_samples_group1 count_nan_samples_group2 distance span_allsamples compartment L-Cyc_med_T2h-1 L-Cyc_med_T2h-2 L-Cyc_med_T0-1 L-Cyc_med_T0-2 gmean_1 gmean_2 -L-Arginine -0.028306 0.009613 0.163421 0.808209 0.980571 0 0 1.770679 2.190869 med 99.783635 100.173715 101.944394 101.974504 99.978485 101.959448 -L-Proline 0.441124 0.016987 0.288782 0.718846 1.357661 0 0 1.64444 2.287611 med 7.203777 7.702354 5.559337 5.414743 7.448895 5.486564 -Hexose 0.141018 0.04318 0.734054 0.618875 1.102683 0 0 1.46312 2.364161 med 20.919801 20.101843 18.638723 18.55564 20.506744 18.597135 -Hexose-phosphate -0.21989 0.073263 1.0 0.469101 0.858631 0 0 1.183673 2.523277 med 11.042011 11.371231 13.565288 12.554904 11.205412 13.050321 -L-Lactic_acid 0.129519 0.080906 1.0 0.431162 1.093929 0 0 1.107572 2.568806 med 20.843746 21.869766 19.736174 19.30096 21.350594 19.517354 -L-Phenylalanine 0.071888 0.086895 1.0 0.411507 1.051091 0 0 1.064817 2.587604 med 37.870329 37.400886 36.336069 35.282725 37.634876 35.805524 -L-Tyrosine 0.073205 0.130892 1.0 0.338927 1.052051 0 0 0.880001 2.596432 med 35.077787 35.443998 34.197786 32.847566 35.260417 33.515877 -L-Serine 0.094869 0.119025 1.0 0.303502 1.067968 0 0 0.820491 2.703409 med 27.149162 28.186476 26.328671 25.483067 27.662957 25.902419 -L-Valine 0.026692 0.156019 1.0 0.275356 1.018673 0 0 0.72888 2.647043 med 91.228609 92.66826 90.499729 90.021217 91.945617 90.260156 -L-Histidine 0.06085 0.160307 1.0 0.217054 1.04308 0 0 0.599017 2.759755 med 40.2211 41.189815 38.43006 39.622083 40.702576 39.02152 -L-Lysine -0.018451 0.203814 1.0 0.160847 0.987293 0 0 0.441277 2.743465 med 124.61713 123.092758 125.836223 125.058407 123.852599 125.446712 -Ile_Leu 0.064692 0.208392 1.0 0.155183 1.045861 0 0 0.425368 2.741066 med 36.641515 35.874575 35.449207 33.900449 36.256017 34.66618 -L-Threonine 0.034018 0.28585 1.0 0.039028 1.02386 0 0 0.107299 2.749299 med 61.975824 60.191229 60.08393 59.226525 61.077009 59.653687 -L-Methionine 0.043433 0.307379 1.0 -0.00305 1.030563 0 0 -0.008477 2.778959 med 45.649117 47.415202 45.657594 44.636243 46.52378 45.14403 -L-Alanine 0.184452 0.318436 1.0 -0.007446 1.136385 0 0 -0.020451 2.746709 med 10.230133 12.090774 10.250584 9.344065 11.121611 9.786834 -Glycine -0.329159 0.464864 1.0 -0.047343 0.796 0 0 -0.112992 2.386685 med 3.512786 3.625778 5.832897 3.446212 3.568835 4.483458 -Pyruvic_acid 0.016539 0.811502 1.0 -0.212837 1.01153 0 0 -0.57825 2.716869 med 29.219182 31.936051 30.489745 29.911495 30.547427 30.199236 -L-Asparagine 0.077673 0.588663 -0.337812 1.055314 0 0 -0.839365 2.484712 med 13.751007 16.161935 14.590372 13.677223 14.907813 14.126421 -L-Tryptophan -0.041416 0.603384 -0.389154 0.971701 0 0 -1.010695 2.597159 med 26.14293 27.605347 28.740089 26.594652 26.864189 27.646567 +L-Arginine -0.028306 0.009613 0.163421 0.808209 0.980571 0.0 0.0 1.770679 2.190869 med 99.783635 100.173715 101.944394 101.974504 99.978485 101.959448 +L-Proline 0.441124 0.016987 0.288782 0.718846 1.357661 0.0 0.0 1.64444 2.287611 med 7.203777 7.702354 5.559337 5.414743 7.448895 5.486564 +Hexose 0.141018 0.04318 0.734054 0.618875 1.102683 0.0 0.0 1.46312 2.364161 med 20.919801 20.101843 18.638723 18.55564 20.506744 18.597135 +Hexose-phosphate -0.21989 0.073263 1.0 0.469101 0.858631 0.0 0.0 1.183673 2.523277 med 11.042011 11.371231 13.565288 12.554904 11.205412 13.050321 +L-Lactic_acid 0.129519 0.080906 1.0 0.431162 1.093929 0.0 0.0 1.107572 2.568806 med 20.843746 21.869766 19.736174 19.30096 21.350594 19.517354 +L-Phenylalanine 0.071888 0.086895 1.0 0.411507 1.051091 0.0 0.0 1.064817 2.587604 med 37.870329 37.400886 36.336069 35.282725 37.634876 35.805524 +L-Serine 0.094869 0.119025 1.0 0.303502 1.067968 0.0 0.0 0.820491 2.703409 med 27.149162 28.186476 26.328671 25.483067 27.662957 25.902419 +L-Tyrosine 0.073205 0.130892 1.0 0.338927 1.052051 0.0 0.0 0.880001 2.596432 med 35.077787 35.443998 34.197786 32.847566 35.260417 33.515877 +L-Valine 0.026692 0.156019 1.0 0.275356 1.018673 0.0 0.0 0.72888 2.647043 med 91.228609 92.66826 90.499729 90.021217 91.945617 90.260156 +L-Histidine 0.06085 0.160307 1.0 0.217054 1.04308 0.0 0.0 0.599017 2.759755 med 40.2211 41.189815 38.43006 39.622083 40.702576 39.02152 +L-Lysine -0.018451 0.203814 1.0 0.160847 0.987293 0.0 0.0 0.441277 2.743465 med 124.61713 123.092758 125.836223 125.058407 123.852599 125.446712 +Ile_Leu 0.064692 0.208392 1.0 0.155183 1.045861 0.0 0.0 0.425368 2.741066 med 36.641515 35.874575 35.449207 33.900449 36.256017 34.66618 +L-Threonine 0.034018 0.28585 1.0 0.039028 1.02386 0.0 0.0 0.107299 2.749299 med 61.975824 60.191229 60.08393 59.226525 61.077009 59.653687 +L-Methionine 0.043433 0.307379 1.0 -0.00305 1.030563 0.0 0.0 -0.008477 2.778959 med 45.649117 47.415202 45.657594 44.636243 46.52378 45.14403 +L-Alanine 0.184452 0.318436 1.0 -0.007446 1.136385 0.0 0.0 -0.020451 2.746709 med 10.230133 12.090774 10.250584 9.344065 11.121611 9.786834 +Glycine -0.329159 0.464864 1.0 -0.047343 0.796 0.0 0.0 -0.112992 2.386685 med 3.512786 3.625778 5.832897 3.446212 3.568835 4.483458 +L-Asparagine 0.077673 0.588663 -0.337812 1.055314 0.0 0.0 -0.839365 2.484712 med 13.751007 16.161935 14.590372 13.677223 14.907813 14.126421 +L-Tryptophan -0.041416 0.603384 -0.389154 0.971701 0.0 0.0 -1.010695 2.597159 med 26.14293 27.605347 28.740089 26.594652 26.864189 27.646567 +Pyruvic_acid 0.016539 0.811502 1.0 -0.212837 1.01153 0.0 0.0 -0.57825 2.716869 med 29.219182 31.936051 30.489745 29.911495 30.547427 30.199236