Mercurial > repos > tomnl > mspurity_createdatabase

diff test-data/createMSP_output_av_all_and_all_xcms.msp @ 14:64a315b27e1c draft default tip

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cb903cd93f9378cfb5eeb68512a54178dcea7bbc
author tomnl
date Wed, 27 Nov 2019 12:38:30 +0000
parents d2b3e81e8f70
children
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--- a/test-data/createMSP_output_av_all_and_all_xcms.msp	Fri Sep 27 09:29:23 2019 -0400
+++ b/test-data/createMSP_output_av_all_and_all_xcms.msp	Wed Nov 27 12:38:30 2019 +0000
@@ -2,7 +2,7 @@
 MS$FOCUSED_ION: PRECURSOR_M/Z 112.050766766484
 AC$CHROMATOGRAPHY: RETENTION_TIME 67.47903
 XCMS groupid (grpid): 12
-COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.11.3 
+COMMENT: Exported from msPurity purityA object using function createMSP, using method 'av_all' msPurity version:1.12.0
 PK$NUM_PEAK: 2
 PK$PEAK: m/z int. rel.int.
 112.050884246826	502873.46875	100