Mercurial > repos > computational-metabolomics > mspurity_createdatabase
comparison createDatabase.R @ 4:3d36a391612c draft
"planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit cbbd708ea1e93b1b1643f6bf6da72af65ffd9950"
author | computational-metabolomics |
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date | Mon, 10 Aug 2020 08:41:22 -0400 |
parents | a11892cb997d |
children | 2f71b3495221 |
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3:19fd19059791 | 4:3d36a391612c |
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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) |