changeset 3:b856fcb1346e draft

planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/DIMet commit 0e7c185547d51ec3fc8ff2d87ac7e2b6d9ae0b0f
author iuc
date Mon, 04 Mar 2024 19:57:45 +0000
parents 40edef7d7f74
children e814718ecb07
files dimet_timecourse_analysis.xml 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 10 files changed, 174 insertions(+), 173 deletions(-) [+]
line wrap: on
line diff
--- a/dimet_timecourse_analysis.xml	Thu Feb 15 12:50:27 2024 +0000
+++ b/dimet_timecourse_analysis.xml	Mon Mar 04 19:57:45 2024 +0000
@@ -36,6 +36,7 @@
          '++analysis.method.statistical_test=${statistical_test}'
          '++analysis.method.grouping=${groups}'
          '++analysis.method.correction_method=${correction_method}'
+         '++analysis.method.disfit_tail_option="auto"'
          '++analysis.method.impute_values=${impute_values}'
          '++analysis.dataset.subfolder='
          '++analysis.dataset.label='
--- a/macros.xml	Thu Feb 15 12:50:27 2024 +0000
+++ b/macros.xml	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--cell-Control-T0-L-Cycloserine-T0-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--cell-Control-T2h-Control-T0-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--cell-Control-T2h-L-Cycloserine-T2h-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--cell-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--med-Control-T0-L-Cycloserine-T0-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--med-Control-T2h-Control-T0-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--med-Control-T2h-L-Cycloserine-T2h-Tt.tsv	Mon Mar 04 19:57:45 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 12:50:27 2024 +0000
+++ b/test-data/abundance--med-L-Cycloserine-T2h-L-Cycloserine-T0-Tt.tsv	Mon Mar 04 19:57:45 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