# HG changeset patch # User tomnl # Date 1525284287 14400 # Node ID be0b64fa61dd028f4bb06254aebb8edda9470333 # Parent ac50adbdb9cc209f0695cb4f82fba3dec9163ad2 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 0aa10df0ec1ed71601f932cfb11d7d4d4f620d80-dirty diff -r ac50adbdb9cc -r be0b64fa61dd anticipated_purity_dims.R --- a/anticipated_purity_dims.R Wed May 02 13:12:15 2018 -0400 +++ b/anticipated_purity_dims.R Wed May 02 14:04:47 2018 -0400 @@ -32,15 +32,16 @@ }else{ indf <- read.table(opt$peaks_file, header = TRUE, sep='\t', stringsAsFactors = FALSE) - + filename = colnames(indf)[8:ncol(indf)][opt$file_num_dimspy] + print(filename) # check if the data file is mzML or RAW (can only use mzML currently) so # we expect an mzML file of the same name in the same folder indf$i <- indf[,colnames(indf)==filename] indf[,colnames(indf)==filename] <- as.numeric(indf[,colnames(indf)==filename]) filename = sub("raw", "mzML", filename, ignore.case = TRUE) - + print(filename) df <- indf[4:nrow(indf),] if ('blank_flag' %in% colnames(df)){ df <- df[df$blank_flag==1,]