comparison anticipated_purity_dims.R @ 10:cf82f99f3638 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 0aa10df0ec1ed71601f932cfb11d7d4d4f620d80-dirty
author tomnl
date Thu, 03 May 2018 07:34:42 -0400
parents cc4464eb380f
children 4acad02faf32
comparison
equal deleted inserted replaced
9:cc4464eb380f 10:cf82f99f3638
40 indf$i <- indf[,colnames(indf)==filename] 40 indf$i <- indf[,colnames(indf)==filename]
41 indf[,colnames(indf)==filename] <- as.numeric(indf[,colnames(indf)==filename]) 41 indf[,colnames(indf)==filename] <- as.numeric(indf[,colnames(indf)==filename])
42 42
43 filename = sub("raw", "mzML", filename, ignore.case = TRUE) 43 filename = sub("raw", "mzML", filename, ignore.case = TRUE)
44 print(filename) 44 print(filename)
45 df <- indf[3:nrow(indf),] 45 df <- indf[4:nrow(indf),]
46 if ('blank_flag' %in% colnames(df)){ 46 if ('blank_flag' %in% colnames(df)){
47 df <- df[df$blank_flag==1,] 47 df <- df[df$blank_flag==1,]
48 } 48 }
49 49
50 colnames(df)[colnames(df)=='m.z'] <- 'mz' 50 colnames(df)[colnames(df)=='m.z'] <- 'mz'