Mercurial > repos > computational-metabolomics > mspurity_filterfragspectra

comparison purityA.R @ 10:06bfdbee9b47 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit f10386dee95f3b1fbc8d1eeec52d450381ba89c5
author computational-metabolomics
date Fri, 13 Sep 2024 12:23:45 +0000
parents a46824d13914
children
comparison
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9:a8842e5e75a7 10:06bfdbee9b47
122 } 122 }
123 123
124 print(pa) 124 print(pa)
125 save(pa, file = file.path(opt$out_dir, "purityA_output.RData")) 125 save(pa, file = file.path(opt$out_dir, "purityA_output.RData"))
126 126
127 pa@puritydf$filename <- sapply(pa@puritydf$fileid, function(x) names(pa@fileList)[as.integer(x)]) 127 pa@puritydf$filename <- sapply(as.character(pa@puritydf$fileid), function(x) names(pa@fileList)[as.integer(x)])
128 128
129 print(head(pa@puritydf)) 129 print(head(pa@puritydf))
130 write.table(pa@puritydf, file.path(opt$out_dir, "purityA_output.tsv"), row.names = FALSE, sep = "\t") 130 write.table(pa@puritydf, file.path(opt$out_dir, "purityA_output.tsv"), row.names = FALSE, sep = "\t")