annotate test-data/duplicateJres.tabular @ 2:dff7bde22102 draft

"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit b3abcb650e9b38458aa0ac5f7d838811d982ff65"

ppm1	ppm2	commonMetabolitesList
2.452	0	 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine glutamine
2.452	-0.013	 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine glutamine
2.452	0.013	 4_hydroxyphenylpropionic_acid carnitine Desaminotyrosine
2.818	-0.013	 4_hydroxyphenylpropionic_acid Aspartic_acid Desaminotyrosine
2.818	0.013	 4_hydroxyphenylpropionic_acid Aspartic_acid Desaminotyrosine
3.791	-0.006	 alanine glycerol raffinose stachyose
3.791	-0.018	 alanine glycerol maltose raffinose stachyose
3.791	0.006	 alanine glycerol raffinose stachyose
3.791	0.018	 alanine glycerol raffinose stachyose
3.655	-0.013	 arabinose galactose glycerol maltose ribose
3.655	0.013	 arabinose galactose glycerol ribose
3.671	-0.005	 arabinose mannose ribose
3.824	-0.011	 arabinose ribose stachyose
3.824	0.005	 arabinose mannose ribose stachyose
3.824	-0.005	 arabinose mannose ribose stachyose
3.824	0.011	 arabinose Ethanolamine ribose stachyose
3.905	-0.012	 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose
3.905	-0.009	 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose sucrose
3.905	0.009	 arabinose Aspartic_acid glucose mannose raffinose ribose stachyose sucrose
4.013	0.004	 arabinose asparagine Histidine ribose
5.248	-0.002	 arabinose glucose maltose
5.248	0.003	 arabinose glucose maltose
4.014	-0.01	 asparagine Histidine
4.014	0.01	 asparagine Histidine
4.014	-0.002	 asparagine Histidine raffinose ribose
4.014	0.002	 asparagine arabinose Histidine raffinose
2.817	-0.011	 Aspartic_acid 4_hydroxyphenylpropionic_acid Desaminotyrosine
2.817	0.011	 Aspartic_acid 4_hydroxyphenylpropionic_acid Desaminotyrosine
3.906	-0.01	 Aspartic_acid arabinose glucose mannose raffinose stachyose
3.906	0.01	 Aspartic_acid arabinose glucose mannose raffinose stachyose
3.906	-0.004	 Aspartic_acid raffinose stachyose
3.906	0.004	 Aspartic_acid raffinose stachyose
3.273	0	 betaine taurine
3.908	0	 betaine cholic_acid raffinose stachyose
0.898	-0.012	 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid valeric_acid
0.902	0	 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid valeric_acid
0.907	0.013	 Butyric acid 2_hydroxybutyric_acid 3_methyl-2-oxovaleric acid
1.57	0.019	 Butyric acid cholic_acid
1.57	-0.018	 Butyric acid cholic_acid
2.17	0.013	 Butyric acid octanoic_acid
2.17	-0.012	 Butyric acid octanoic_acid
1.73	-0.026	 Cadaverine Lysine
1.729	0	 Cadaverine Lysine
1.729	0.013	 Cadaverine Lysine
1.731	-0.013	 Cadaverine Lysine
3.022	0.012	 Cadaverine 5aminovalericacid gaba
3.022	-0.012	 Cadaverine 5aminovalericacid gaba
3.024	0	 Cadaverine 5aminovalericacid gaba Lysine
2.446	0.013	 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine
2.446	-0.013	 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine
2.445	0.027	 carnitine glutamine
2.445	0	 carnitine 4_hydroxyphenylpropionic_acid Desaminotyrosine
3.234	0	 carnitine gpc
3.422	0.015	 carnitine glucose
3.422	-0.015	 carnitine glucose
3.434	0	 carnitine maltose rahmnose taurine
3.422	-0.009	 carnitine Proline taurine
3.529	0.008	 CholineChloride ribose
3.529	-0.008	 CholineChloride ribose
4.069	0	 CholineChloride cholic_acid myo_inositol raffinose stachyose sucrose tryptophan
4.069	0.009	 CholineChloride tryptophan
3.937	0	 creatine mannose ribose
2.454	-0.013	 Desaminotyrosine 4_hydroxyphenylpropionic_acid carnitine glutamine
2.454	0.013	 Desaminotyrosine 4_hydroxyphenylpropionic_acid carnitine
2.822	-0.013	 Desaminotyrosine 4_hydroxyphenylpropionic_acid Aspartic_acid
2.822	0.012	 Desaminotyrosine 4_hydroxyphenylpropionic_acid Aspartic_acid
3.741	0	 Dimethylglycine galactose
3.5	-0.002	 galactose cholic_acid glucose
3.498	0.015	 galactose glucose
3.658	-0.011	 galactose arabinose glycerol
3.658	-0.005	 galactose Ethanol glycerol ribose stachyose
3.658	0.005	 galactose Ethanol glycerol ribose stachyose
3.658	0.011	 galactose arabinose
3.723	-0.016	 galactose glucose
3.723	0.016	 galactose glucose
3.723	-0.004	 galactose glucose
3.723	0.004	 galactose glucose
3.736	0	 galactose Dimethylglycine
3.76	-0.002	 galactose Lysine phenylacetylglycine
3.762	0.008	 galactose glucose Lysine maltose raffinose ribose
3.763	-0.009	 galactose glutamic acid Lysine raffinose ribose
3.812	-0.012	 galactose maltose rahmnose ribose
3.812	0.005	 galactose maltose rahmnose sucrose
3.812	-0.006	 galactose maltose rahmnose ribose sucrose
3.812	0.012	 galactose maltose rahmnose ribose
3.863	-0.012	 galactose maltose mannose Methionine rahmnose stachyose
3.863	-0.006	 galactose Ethanolamine maltose mannose Serine stachyose
3.863	0.006	 galactose maltose mannose ribose Serine stachyose
3.863	0.012	 galactose maltose mannose Methionine rahmnose stachyose
3.255	0	 glucose arginine
3.422	0.016	 glucose carnitine
3.422	-0.016	 glucose carnitine
3.422	0	 glucose Proline taurine
3.475	0	 glucose sucrose
3.475	0.015	 glucose sucrose
3.502	-0.015	 glucose galactose
3.502	0	 glucose cholic_acid galactose
3.502	0.015	 glucose galactose
3.545	0.011	 glucose myo_inositol
3.545	-0.005	 glucose myo_inositol ribose
3.545	0.005	 glucose myo_inositol ribose
3.545	-0.012	 glucose myo_inositol
3.731	-0.015	 glucose galactose stachyose
3.721	-0.016	 glucose galactose
3.732	0.015	 glucose galactose mannose stachyose
3.721	0.016	 glucose galactose
3.732	-0.006	 glucose galactose mannose stachyose
3.732	0.005	 glucose galactose mannose stachyose
3.843	0.009	 glucose inosine raffinose sucrose
3.839	0.011	 glucose raffinose ribose
3.844	-0.01	 glucose Ethanolamine raffinose sucrose
3.839	-0.011	 glucose raffinose ribose
3.901	-0.012	 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose
3.901	-0.009	 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose sucrose
3.901	0.008	 glucose arabinose Aspartic_acid mannose raffinose ribose sucrose
3.902	0.012	 glucose arabinose Aspartic_acid mannose raffinose ribose stachyose
5.243	-0.003	 glucose arabinose maltose
5.243	0.003	 glucose arabinose maltose
3.656	-0.013	 glycerol arabinose galactose maltose ribose
3.656	-0.006	 glycerol arabinose Ethanol galactose ribose stachyose
3.656	0.006	 glycerol Ethanol galactose ribose stachyose
3.791	-0.011	 glycerol arginine glutamine ornithine
3.791	0	 glycerol arginine glutamine maltose ornithine
3.791	0.01	 glycerol arginine glutamic acid glutamine ornithine
3.791	-0.007	 glycerol alanine
3.791	0.007	 glycerol alanine
3.969	0	 hippuric_acid maltose raffinose
4.015	-0.011	 Histidine asparagine
4.015	0.01	 Histidine asparagine
4.015	-0.002	 Histidine asparagine raffinose ribose
4.015	0.002	 Histidine arabinose asparagine raffinose
7.21	0.013	 indoxylsulfate tryptophan
7.21	-0.013	 indoxylsulfate tryptophan
7.21	0	 indoxylsulfate indole_3_propionic_acid tryptophan
7.283	-0.013	 indoxylsulfate tryptophan
7.283	0.013	 indoxylsulfate tryptophan
7.283	0	 indoxylsulfate tryptophan
3.687	-0.004	 Isoleucine raffinose ribose
3.683	0.003	 Isoleucine raffinose sucrose
1.333	0.006	 Lactic acid threonine
1.333	-0.006	 Lactic acid threonine
4.117	-0.006	 Lactic acid ribose
4.117	0.006	 Lactic acid ribose
3.741	-0.005	 mannose galactose glucose raffinose stachyose
3.741	-0.015	 mannose galactose raffinose stachyose
3.741	0.005	 mannose galactose glucose raffinose stachyose
3.823	0.004	 mannose arabinose maltose ribose stachyose
3.823	-0.004	 mannose arabinose maltose ribose stachyose
3.856	-0.011	 mannose galactose maltose raffinose ribose stachyose
3.856	-0.005	 mannose galactose hydroxyisovaleric inosine ribose stachyose
3.856	0.005	 mannose galactose hydroxyisovaleric inosine ribose stachyose
3.856	0.011	 mannose galactose maltose raffinose ribose stachyose sucrose
3.91	-0.012	 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose
3.91	0.009	 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose
3.91	0.012	 mannose arabinose Aspartic_acid glucose maltose raffinose stachyose
3.943	0	 mannose arabinose creatine ribose
3.956	0	 mannose arabinose raffinose
3.544	0.011	 myo_inositol glucose
3.544	-0.006	 myo_inositol glucose ribose
3.544	0.006	 myo_inositol glucose ribose
3.544	-0.011	 myo_inositol glucose
4.073	0	 myo_inositol cholic_acid CholineChloride raffinose stachyose
2.012	-0.021	 Proline hydroxyisovaleric
2.011	-0.01	 Proline hydroxyisovaleric
2.012	0.01	 Proline hydroxyisovaleric
2.012	0.021	 Proline hydroxyisovaleric
3.423	0.001	 Proline glucose taurine
3.423	-0.009	 Proline carnitine taurine
3.423	0.01	 Proline carnitine taurine
4.141	0.013	 Proline stachyose
4.141	-0.013	 Proline ribose stachyose
4.14	-0.002	 Proline ribose
4.142	0.002	 Proline ribose stachyose
3.275	0	 taurine betaine
3.43	0	 taurine carnitine glucose maltose Proline
1.34	0.005	 threonine Lactic acid
1.339	-0.006	 threonine Lactic acid
3.603	0.004	 threonine maltose rahmnose
3.604	-0.005	 threonine rahmnose
4.063	-0.002	 tryptophan cholic_acid CholineChloride raffinose stachyose sucrose
7.204	0.012	 tryptophan indoxylsulfate
7.204	-0.012	 tryptophan indoxylsulfate
7.204	0	 tryptophan indoxylsulfate
7.288	-0.012	 tryptophan indoxylsulfate
7.288	0.013	 tryptophan indoxylsulfate
7.288	0	 tryptophan indoxylsulfate
7.548	-0.006	 tryptophan Uracil
7.549	0.007	 tryptophan Uracil
7.552	-0.006	 Uracil tryptophan
7.552	0.007	 Uracil tryptophan
0.998	-0.006	 valine cholic_acid
0.996	0.006	 valine cholic_acid
1.047	-0.006	 valine 2_methylbutyric_acid
1.047	0.006	 valine 2_methylbutyric_acid
3.62	-0.004	 valine gpc rahmnose
3.62	0.004	 valine gpc rahmnose