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

diff test-data/duplicateHsqc.tabular @ 2:dff7bde22102 draft

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"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit b3abcb650e9b38458aa0ac5f7d838811d982ff65"
author workflow4metabolomics
date Tue, 04 Feb 2020 10:59:26 -0500
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/duplicateHsqc.tabular	Tue Feb 04 10:59:26 2020 -0500
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+ppm1	ppm2	commonMetabolitesList
+3.024	41.961	 Cadaverine 5aminovalericacid gaba Lysine
+3.232	56.932	 carnitine gpc
+4.072	58.227	 CholineChloride tryptophan
+3.015	42.093	 gaba 5aminovalericacid Cadaverine
+3.502	74.756	 galactose cholic_acid
+3.661	75.593	 galactose mannose
+3.866	71.993	 galactose stachyose
+3.942	71.619	 galactose ribose
+4	72.162	 galactose stachyose
+3.425	72.307	 glucose maltose
+3.549	74.169	 glucose myo_inositol
+4.66	98.737	 glucose maltose
+5.252	94.768	 glucose maltose
+4.12	71.318	 Lactic acid ribose
+4.066	57.824	 tryptophan CholineChloride
+7.209	122.251	 tryptophan indoxylsulfate
+7.292	124.963	 tryptophan indoxylsulfate
+1	19.497	 valine cholic_acid