Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation

comparison test-data/2DNMRAnnotation_annotationCOSY.tabular @ 3:546c7ccd2ed4 draft default tip

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"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 911f4beba3dcb25c1033e8239426f8f763683523"
author workflow4metabolomics
date Fri, 04 Feb 2022 09:01:11 +0000
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2:dff7bde22102 3:546c7ccd2ed4
1 ppm1 ppm2 Metabolite score
2 1.0475 2.2765 L-valine 0.4
3 2.2801 1.0251 L-valine 0.4
4 1.4869 3.7917 L-alanine 0.5
5 4.572 2.453 carnitine 0.5
6 4.572 3.431 carnitine 0.5
7 0.8975 1.5674 Butyric acid 0.5
8 1.5664 0.898 Butyric acid 0.5
9 1.7296 3.0195 Cadaverine 0.5
10 3.0256 1.7292 Cadaverine 0.5
11 4.2594 1.3323 L-Threonine 0.5
12 4.2601 3.5979 L-Threonine 0.5
13 2.8816 4.0178 L-asparagine 0.8
14 2.8825 2.9639 L-asparagine 0.8
15 2.9617 2.8831 L-asparagine 0.8
16 4.0137 2.9132 L-asparagine 0.8
17 3.3187 4.0587 L-Tryptophan 0.31
18 4.0638 3.4884 L-Tryptophan 0.31
19 7.2048 7.2841 L-Tryptophan 0.31
20 7.7385 7.2038 L-Tryptophan 0.31
21 7.21 7.281 indoxyl sulfate 0.33
22 7.283 7.205 indoxyl sulfate 0.33