diff test-data/out_sum_test02.tabular @ 2:1276908e8fc4 draft

Master branch Updating - - Fxx
author fgiacomoni
date Mon, 20 Aug 2018 09:17:05 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_sum_test02.tabular	Mon Aug 20 09:17:05 2018 -0400
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+MASS	CLUSTER_DELTA	CLUSTER_FORMULA	CLUSTER_NAME	CLUSTER_TOTAL
+545.2139789	0.14	C28H52NO7P	LysoPC(20:3(5Z,8Z,11Z))	1
+545.2139789	0.14	C28H52NO7P	PC_20:3	1
+676.4186223	0.10	C36H73N2O7P	PE-Cer_34:1(2OH)	2
+676.4186223	0.13	C37H77N2O6P	SM_32:0	1
+686.4122474	0.13	C38H75N2O6P	PE-Cer_36:2	3
+686.4122474	0.13	C38H75N2O6P	SM_33:2	1
+690.4183999	0.11	C37H75N2O7P	PE-Cer_35:1(2OH)	1
+690.4183999	0.15	C38H79N2O6P	SM_33:0	1