view test-data/2DNMRAnnotation_annotationCOSY.tabular @ 5:e2b63e0c04e1 draft default tip

planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 3d328007dd7716848ec2eeb6c2a472f27eeb2995
author workflow4metabolomics
date Fri, 11 Jul 2025 08:33:27 +0000
parents 546c7ccd2ed4
children
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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