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

diff 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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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2DNMRAnnotation_annotationCOSY.tabular	Fri Feb 04 09:01:11 2022 +0000
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+ppm1	ppm2	Metabolite	score
+1.0475	2.2765	L-valine	0.4
+2.2801	1.0251	L-valine	0.4
+1.4869	3.7917	L-alanine	0.5
+4.572	2.453	carnitine	0.5
+4.572	3.431	carnitine	0.5
+0.8975	1.5674	Butyric acid	0.5
+1.5664	0.898	Butyric acid	0.5
+1.7296	3.0195	Cadaverine	0.5
+3.0256	1.7292	Cadaverine	0.5
+4.2594	1.3323	L-Threonine	0.5
+4.2601	3.5979	L-Threonine	0.5
+2.8816	4.0178	L-asparagine	0.8
+2.8825	2.9639	L-asparagine	0.8
+2.9617	2.8831	L-asparagine	0.8
+4.0137	2.9132	L-asparagine	0.8
+3.3187	4.0587	L-Tryptophan	0.31
+4.0638	3.4884	L-Tryptophan	0.31
+7.2048	7.2841	L-Tryptophan	0.31
+7.7385	7.2038	L-Tryptophan	0.31
+7.21	7.281	indoxyl sulfate	0.33
+7.283	7.205	indoxyl sulfate	0.33