Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation
diff test-data/annotationJres.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/annotationJres.tabular Tue Feb 04 10:59:26 2020 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,314 +0,0 @@ -ppm1 ppm2 Metabolite score -2.452 0 4_hydroxyphenylpropionic_acid 0.5 -2.452 -0.013 4_hydroxyphenylpropionic_acid 0.5 -2.452 0.013 4_hydroxyphenylpropionic_acid 0.5 -2.818 -0.013 4_hydroxyphenylpropionic_acid 0.5 -2.818 0.013 4_hydroxyphenylpropionic_acid 0.5 -1.487 0.006 alanine 1 -1.487 -0.006 alanine 1 -3.791 -0.006 alanine 1 -3.791 -0.018 alanine 1 -3.791 0.006 alanine 1 -3.791 0.018 alanine 1 -3.517 0.002 arabinose 0.348837209302326 -3.655 -0.013 arabinose 0.348837209302326 -3.655 0.013 arabinose 0.348837209302326 -3.671 -0.005 arabinose 0.348837209302326 -3.824 -0.011 arabinose 0.348837209302326 -3.824 0.005 arabinose 0.348837209302326 -3.824 -0.005 arabinose 0.348837209302326 -3.824 0.011 arabinose 0.348837209302326 -3.905 -0.012 arabinose 0.348837209302326 -3.905 -0.009 arabinose 0.348837209302326 -3.905 0.009 arabinose 0.348837209302326 -3.905 0.009 arabinose 0.348837209302326 -3.905 -0.012 arabinose 0.348837209302326 -3.905 -0.009 arabinose 0.348837209302326 -4.013 0.004 arabinose 0.348837209302326 -5.248 -0.002 arabinose 0.348837209302326 -5.248 0.003 arabinose 0.348837209302326 -2.881 -0.008 asparagine 1 -2.881 0.02 asparagine 1 -2.881 0.008 asparagine 1 -2.881 -0.02 asparagine 1 -2.961 0.01 asparagine 1 -2.961 -0.018 asparagine 1 -2.961 -0.011 asparagine 1 -2.961 0.018 asparagine 1 -4.014 -0.01 asparagine 1 -4.014 0.01 asparagine 1 -4.014 -0.002 asparagine 1 -4.014 0.002 asparagine 1 -2.694 0.007 Aspartic_acid 1 -2.694 0.022 Aspartic_acid 1 -2.694 -0.008 Aspartic_acid 1 -2.817 -0.011 Aspartic_acid 1 -2.817 0.011 Aspartic_acid 1 -2.817 0.018 Aspartic_acid 1 -2.817 -0.018 Aspartic_acid 1 -3.906 -0.01 Aspartic_acid 1 -3.906 0.01 Aspartic_acid 1 -3.906 -0.004 Aspartic_acid 1 -3.906 0.004 Aspartic_acid 1 -3.906 0.01 Aspartic_acid 1 -3.906 -0.01 Aspartic_acid 1 -3.273 0 betaine 1 -3.908 0 betaine 1 -0.898 -0.012 Butyric acid 0.916666666666667 -0.902 0 Butyric acid 0.916666666666667 -0.907 0.013 Butyric acid 0.916666666666667 -1.565 0.007 Butyric acid 0.916666666666667 -1.57 0.019 Butyric acid 0.916666666666667 -1.565 -0.03 Butyric acid 0.916666666666667 -1.565 -0.006 Butyric acid 0.916666666666667 -1.57 -0.018 Butyric acid 0.916666666666667 -2.165 0 Butyric acid 0.916666666666667 -2.17 0.013 Butyric acid 0.916666666666667 -2.17 -0.012 Butyric acid 0.916666666666667 -1.726 0.025 Cadaverine 0.615384615384615 -1.73 -0.026 Cadaverine 0.615384615384615 -1.729 0 Cadaverine 0.615384615384615 -1.729 0.013 Cadaverine 0.615384615384615 -1.731 -0.013 Cadaverine 0.615384615384615 -3.022 0.012 Cadaverine 0.615384615384615 -3.022 -0.012 Cadaverine 0.615384615384615 -3.024 0 Cadaverine 0.615384615384615 -2.426 -0.018 carnitine 0.611111111111111 -2.426 0.007 carnitine 0.611111111111111 -2.426 0.018 carnitine 0.611111111111111 -2.446 0.013 carnitine 0.611111111111111 -2.446 -0.013 carnitine 0.611111111111111 -2.445 0.027 carnitine 0.611111111111111 -2.445 0 carnitine 0.611111111111111 -2.445 -0.027 carnitine 0.611111111111111 -2.445 0 carnitine 0.611111111111111 -2.446 -0.038 carnitine 0.611111111111111 -2.445 -0.027 carnitine 0.611111111111111 -2.445 0.027 carnitine 0.611111111111111 -2.446 0.038 carnitine 0.611111111111111 -2.446 -0.013 carnitine 0.611111111111111 -2.446 0.013 carnitine 0.611111111111111 -2.465 -0.007 carnitine 0.611111111111111 -2.465 0.007 carnitine 0.611111111111111 -2.465 0.019 carnitine 0.611111111111111 -2.465 0.019 carnitine 0.611111111111111 -2.465 -0.007 carnitine 0.611111111111111 -2.465 -0.019 carnitine 0.611111111111111 -2.465 0.007 carnitine 0.611111111111111 -3.234 0 carnitine 0.611111111111111 -3.422 0.015 carnitine 0.611111111111111 -3.422 -0.015 carnitine 0.611111111111111 -3.434 0 carnitine 0.611111111111111 -3.422 -0.009 carnitine 0.611111111111111 -3.438 -0.008 carnitine 0.611111111111111 -3.438 0.008 carnitine 0.611111111111111 -3.209 -0.001 CholineChloride 0.714285714285714 -3.529 0.008 CholineChloride 0.714285714285714 -3.529 -0.008 CholineChloride 0.714285714285714 -4.069 0 CholineChloride 0.714285714285714 -4.069 0.009 CholineChloride 0.714285714285714 -3.937 0 creatine 0.5 -2.454 -0.013 Desaminotyrosine 0.4 -2.454 0.013 Desaminotyrosine 0.4 -2.822 -0.013 Desaminotyrosine 0.4 -2.822 0.012 Desaminotyrosine 0.4 -2.729 0 Dimethylamine 1 -3.741 0 Dimethylglycine 0.333333333333333 -6.519 0 Fumaric acid 1 -3.5 -0.002 galactose 0.473684210526316 -3.498 0.015 galactose 0.473684210526316 -3.658 -0.011 galactose 0.473684210526316 -3.658 -0.005 galactose 0.473684210526316 -3.658 0.005 galactose 0.473684210526316 -3.658 0.011 galactose 0.473684210526316 -3.723 -0.016 galactose 0.473684210526316 -3.723 0.016 galactose 0.473684210526316 -3.723 0.016 galactose 0.473684210526316 -3.723 -0.004 galactose 0.473684210526316 -3.723 -0.016 galactose 0.473684210526316 -3.723 0.004 galactose 0.473684210526316 -3.736 0 galactose 0.473684210526316 -3.76 -0.002 galactose 0.473684210526316 -3.762 0.008 galactose 0.473684210526316 -3.763 -0.009 galactose 0.473684210526316 -3.812 -0.012 galactose 0.473684210526316 -3.812 0.005 galactose 0.473684210526316 -3.812 -0.006 galactose 0.473684210526316 -3.812 0.012 galactose 0.473684210526316 -3.863 -0.012 galactose 0.473684210526316 -3.863 -0.006 galactose 0.473684210526316 -3.863 0.006 galactose 0.473684210526316 -3.863 0.012 galactose 0.473684210526316 -4.595 -0.007 galactose 0.473684210526316 -4.595 0.007 galactose 0.473684210526316 -5.274 -0.004 galactose 0.473684210526316 -5.274 0.004 galactose 0.473684210526316 -3.256 -0.014 glucose 0.8125 -3.255 0 glucose 0.8125 -3.422 0.016 glucose 0.8125 -3.411 0.016 glucose 0.8125 -3.422 -0.016 glucose 0.8125 -3.411 -0.016 glucose 0.8125 -3.422 0 glucose 0.8125 -3.475 0 glucose 0.8125 -3.475 -0.011 glucose 0.8125 -3.475 -0.005 glucose 0.8125 -3.475 0.005 glucose 0.8125 -3.475 0.011 glucose 0.8125 -3.475 0.015 glucose 0.8125 -3.502 -0.015 glucose 0.8125 -3.502 0 glucose 0.8125 -3.502 0.015 glucose 0.8125 -3.545 0.011 glucose 0.8125 -3.545 -0.005 glucose 0.8125 -3.545 0.005 glucose 0.8125 -3.545 -0.012 glucose 0.8125 -3.731 -0.015 glucose 0.8125 -3.721 -0.016 glucose 0.8125 -3.732 0.015 glucose 0.8125 -3.721 0.016 glucose 0.8125 -3.732 0.015 glucose 0.8125 -3.732 -0.006 glucose 0.8125 -3.731 -0.015 glucose 0.8125 -3.732 0.005 glucose 0.8125 -3.843 0.009 glucose 0.8125 -3.839 0.011 glucose 0.8125 -3.844 -0.01 glucose 0.8125 -3.839 -0.011 glucose 0.8125 -3.901 -0.012 glucose 0.8125 -3.901 -0.009 glucose 0.8125 -3.901 0.008 glucose 0.8125 -3.902 0.012 glucose 0.8125 -3.901 -0.012 glucose 0.8125 -3.901 -0.009 glucose 0.8125 -4.655 0.007 glucose 0.8125 -4.655 -0.006 glucose 0.8125 -5.243 -0.003 glucose 0.8125 -5.243 0.003 glucose 0.8125 -3.656 -0.013 glycerol 0.666666666666667 -3.656 -0.006 glycerol 0.666666666666667 -3.656 0.006 glycerol 0.666666666666667 -3.791 -0.011 glycerol 0.666666666666667 -3.791 0 glycerol 0.666666666666667 -3.791 0.01 glycerol 0.666666666666667 -3.791 -0.007 glycerol 0.666666666666667 -3.791 -0.018 glycerol 0.666666666666667 -3.791 0.007 glycerol 0.666666666666667 -3.791 0.018 glycerol 0.666666666666667 -3.568 0 glycine 1 -3.969 0 hippuric_acid 1 -7.555 0.013 hippuric_acid 1 -7.555 0 hippuric_acid 1 -7.555 -0.013 hippuric_acid 1 -7.642 0 hippuric_acid 1 -7.642 -0.013 hippuric_acid 1 -7.642 0.012 hippuric_acid 1 -7.836 -0.007 hippuric_acid 1 -7.836 0.007 hippuric_acid 1 -4.015 -0.011 Histidine 0.428571428571429 -4.015 0.01 Histidine 0.428571428571429 -4.015 -0.002 Histidine 0.428571428571429 -4.015 0.002 Histidine 0.428571428571429 -7.156 0 Histidine 0.428571428571429 -8.043 0 Histidine 0.428571428571429 -7.21 0.013 indoxylsulfate 0.545454545454545 -7.21 -0.013 indoxylsulfate 0.545454545454545 -7.21 0 indoxylsulfate 0.545454545454545 -7.283 -0.013 indoxylsulfate 0.545454545454545 -7.283 0.013 indoxylsulfate 0.545454545454545 -7.283 0 indoxylsulfate 0.545454545454545 -0.946 -0.012 Isoleucine 0.379310344827586 -0.948 0.012 Isoleucine 0.379310344827586 -0.949 0 Isoleucine 0.379310344827586 -1.017 0.007 Isoleucine 0.379310344827586 -1.017 -0.006 Isoleucine 0.379310344827586 -1.269 0.025 Isoleucine 0.379310344827586 -1.269 -0.024 Isoleucine 0.379310344827586 -1.269 -0.011 Isoleucine 0.379310344827586 -1.269 0.011 Isoleucine 0.379310344827586 -3.687 -0.004 Isoleucine 0.379310344827586 -3.683 0.003 Isoleucine 0.379310344827586 -1.333 0.006 Lactic acid 1 -1.333 -0.006 Lactic acid 1 -1.333 0.006 Lactic acid 1 -4.117 -0.017 Lactic acid 1 -4.118 0.017 Lactic acid 1 -4.117 -0.006 Lactic acid 1 -4.117 0.006 Lactic acid 1 -3.741 -0.005 mannose 0.3125 -3.741 -0.015 mannose 0.3125 -3.741 0.005 mannose 0.3125 -3.823 0.004 mannose 0.3125 -3.823 -0.004 mannose 0.3125 -3.856 -0.011 mannose 0.3125 -3.856 -0.005 mannose 0.3125 -3.856 0.005 mannose 0.3125 -3.856 0.011 mannose 0.3125 -3.91 -0.012 mannose 0.3125 -3.91 0.009 mannose 0.3125 -3.91 0.009 mannose 0.3125 -3.91 0.012 mannose 0.3125 -3.91 -0.012 mannose 0.3125 -3.943 0 mannose 0.3125 -3.956 0 mannose 0.3125 -3.544 0.011 myo_inositol 0.384615384615385 -3.544 -0.006 myo_inositol 0.384615384615385 -3.544 0.006 myo_inositol 0.384615384615385 -3.544 -0.011 myo_inositol 0.384615384615385 -4.073 0 myo_inositol 0.384615384615385 -2.012 -0.021 Proline 0.409090909090909 -2.011 -0.01 Proline 0.409090909090909 -2.012 0.01 Proline 0.409090909090909 -2.012 0.021 Proline 0.409090909090909 -2.011 0 Proline 0.409090909090909 -2.356 -0.004 Proline 0.409090909090909 -2.356 -0.017 Proline 0.409090909090909 -2.356 0.004 Proline 0.409090909090909 -2.356 0.018 Proline 0.409090909090909 -3.347 -0.009 Proline 0.409090909090909 -3.347 0.01 Proline 0.409090909090909 -3.423 0.001 Proline 0.409090909090909 -3.423 -0.009 Proline 0.409090909090909 -3.423 0.01 Proline 0.409090909090909 -4.141 0.013 Proline 0.409090909090909 -4.141 -0.013 Proline 0.409090909090909 -4.14 -0.002 Proline 0.409090909090909 -4.142 0.002 Proline 0.409090909090909 -3.275 0 taurine 0.333333333333333 -3.43 0 taurine 0.333333333333333 -1.34 0.005 threonine 1 -1.339 -0.006 threonine 1 -1.34 0.005 threonine 1 -3.603 0.004 threonine 1 -3.604 -0.005 threonine 1 -4.26 -0.01 threonine 1 -4.258 -0.02 threonine 1 -4.26 0.01 threonine 1 -4.259 0 threonine 1 -4.259 0.021 threonine 1 -4.063 -0.002 tryptophan 0.521739130434783 -7.204 0.012 tryptophan 0.521739130434783 -7.204 -0.012 tryptophan 0.521739130434783 -7.204 0 tryptophan 0.521739130434783 -7.288 -0.012 tryptophan 0.521739130434783 -7.288 0.013 tryptophan 0.521739130434783 -7.288 0 tryptophan 0.521739130434783 -7.334 0 tryptophan 0.521739130434783 -7.548 -0.006 tryptophan 0.521739130434783 -7.549 0.007 tryptophan 0.521739130434783 -7.738 -0.006 tryptophan 0.521739130434783 -7.738 0.006 tryptophan 0.521739130434783 -7.552 -0.006 Uracil 0.5 -7.552 0.007 Uracil 0.5 -0.998 -0.006 valine 0.75 -0.996 0.006 valine 0.75 -1.047 -0.006 valine 0.75 -1.047 0.006 valine 0.75 -2.279 -0.004 valine 0.75 -2.28 0.003 valine 0.75 -2.28 0.016 valine 0.75 -2.281 -0.016 valine 0.75 -2.28 -0.008 valine 0.75 -2.28 0.008 valine 0.75 -3.62 -0.004 valine 0.75 -3.62 0.004 valine 0.75