From 40c7720404f957217e09ae323b3b80b3a84e4e90 Mon Sep 17 00:00:00 2001 From: Thomas N Lawson Date: Fri, 13 Sep 2024 10:20:41 +0100 Subject: [PATCH] Update filterFragSpectra.R - revert - not required --- tools/msPurity/filterFragSpectra.R | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tools/msPurity/filterFragSpectra.R b/tools/msPurity/filterFragSpectra.R index 741c9b0..58adb08 100644 --- a/tools/msPurity/filterFragSpectra.R +++ b/tools/msPurity/filterFragSpectra.R @@ -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$filename <- sapply(as.character(pa@grped_df$fileid), function(x) names(pa@fileList)[as.integer(x)]) + pa@grped_df$filename <- sapply(pa@grped_df$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")