Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation
diff test-data/duplicateJres.tabular @ 3:546c7ccd2ed4 draft default tip
"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 911f4beba3dcb25c1033e8239426f8f763683523"
| author | workflow4metabolomics |
|---|---|
| date | Fri, 04 Feb 2022 09:01:11 +0000 |
| parents | dff7bde22102 |
| children |
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--- a/test-data/duplicateJres.tabular Tue Feb 04 10:59:26 2020 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,197 +0,0 @@ -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