diff test-data/2DNMRAnnotation_annotationCombination.tabular @ 3:546c7ccd2ed4 draft default tip

"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 911f4beba3dcb25c1033e8239426f8f763683523"

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/2DNMRAnnotation_annotationCombination.tabular	Fri Feb 04 09:01:11 2022 +0000
@@ -0,0 +1,23 @@
+Metabolite	score.COSY	score.HMBC	score.HSQC	score.JRES	score.TOCSY	averageScore
+butyric acid	0.5	0.38	0.33	0.92	0	0.43
+cadaverine	0.5	0.67	0.33	0.62	0	0.42
+carnitine	0.5	0.64	1	0.61	0	0.55
+choline chloride	0	0.5	0.67	0.71	0	0.38
+d-glucose	0	0.36	0.67	0.81	0	0.37
+dimethylamine	NA	NA	0	1	0	0.33
+fumaric acid	NA	1	1	1	NA	1
+glycine	NA	NA	NA	1	NA	1
+glycine betaine	NA	0.67	1	1	NA	0.89
+hippuric acid	0	0.7	1	1	0	0.54
+isoleucine	0	0.41	1	0.38	0	0.36
+l-alanine	0.5	0.75	1	1	1	0.85
+l-asparagine	0.8	0.78	1	1	0	0.72
+l-aspartic acid	0	0.67	1	1	0	0.53
+l-glutamine	0	1	1	0.58	0	0.52
+l-histidine	0	0.41	1	0.43	0	0.37
+l-lactic acid (sodium salt)	0	0.5	1	1	0	0.5
+l-proline	0	0.52	1	0.41	0	0.39
+l-threonine	0.5	0.71	0.67	1	0	0.58
+l-tryptophan	0.31	0.56	1	0.52	0	0.48
+l-valine	0.4	0.57	0.75	0.75	0	0.49
+n,n-dimethylglycine	NA	NA	NA	0.33	NA	0.33