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Update filterFragSpectra.R - update filenames - ensure as character
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Tomnl committed Sep 13, 2024
1 parent fc13455 commit 982f347
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2 changes: 1 addition & 1 deletion tools/msPurity/filterFragSpectra.R
Original file line number Diff line number Diff line change
Expand Up @@ -93,7 +93,7 @@ if (length(pa) > 0) {
# select and reorder columns
df_fragments <- df_fragments[, c("grpid", "pid", "precursorScanNum", "acquisitionNum", "fileid", "mz", "i", "snr", "ra", "purity_pass_flag", "intensity_pass_flag", "ra_pass_flag", "snr_pass_flag", "pass_flag")]

pa@grped_df$filename <- sapply(pa@grped_df$fileid, function(x) names(pa@fileList)[as.integer(x)])
pa@grped_df$filename <- sapply(as.character(pa@grped_df$fileid), function(x) names(pa@fileList)[as.integer(x)])

print(head(pa@grped_df))
write.table(pa@grped_df, opt$out_peaklist_prec, row.names = FALSE, sep = "\t")
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