Mercurial > repos > computational-metabolomics > mspurity_dimspredictpuritysingle

comparison createDatabase.R @ 4:84d4e78d49f2 draft

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"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cbbd708ea1e93b1b1643f6bf6da72af65ffd9950"
author computational-metabolomics
date Mon, 10 Aug 2020 08:27:57 -0400
parents 379b5c1dbe19
children 090775983be7
comparison
equal deleted inserted replaced
3:8f5877c6d5f4 4:84d4e78d49f2
92 pa <- loadRData(opt$pa, 'pa') 92 pa <- loadRData(opt$pa, 'pa')
93 93
94 94
95 print(pa@fileList) 95 print(pa@fileList)
96 96
97 97 # Missing list element causes failures (should be updated
98 # in msPurity R package for future releases)
99 if (!exists('allfrag', where=pa@filter_frag_params)){
100 pa@filter_frag_params$allfrag <- FALSE
101 }
98 102
99 if (opt$xcms_camera_option=='xcms'){ 103 if (opt$xcms_camera_option=='xcms'){
100 104
101 xset <- loadRData(opt$xset, c('xset','xdata')) 105 xset <- loadRData(opt$xset, c('xset','xdata'))
102 xset <- getxcmsSetObject(xset) 106 xset <- getxcmsSetObject(xset)