Split MassLynx output file

Splits the MassLynx complete summary output file into individual data frames based on compound.

Uninteresting output

Spliting the file generates a stream of "New names: • `` -> `...1`" output in the console that is not particularly interesting but lets you know it's doing something.

clean = TRUE

These data frames are cleaned by ras.cleanDF() (unless clean = FALSE).

write = TRUE

!!! DEFAULT IS TO WRITE TO FILE SYSTEM !!! Data frames written to tsv files in the same directory as the source file. Use write = FALSE to disable this.

Usage

ras.SplitOutput(
  sourceFiles = tcltk::tk_choose.files(),
  clean = FALSE,
  write = TRUE
)

Arguments

sourceFiles: A character vector with one or more file paths
clean: Defaults to FALSE for data cleaning
write: Defaults to TRUE for writing to file system

Value

Writes a tsv file per compound to the same directory as the source file.

Also returns the nested list of data frames for each file

Examples

  if (FALSE) { # \dontrun{
ras.SplitOutput() # First thing the function does is ask the user for a file.
ras.SplitOutput(clean = FALSE) # If the summary output file was not based on the provided template.


# !!! DOES **NOT** WRITE TO FILE SYSTEM !!!
listDF = ras.SplitOutput(sourceFile = system.file("extdata",
                                                  "Example_MLOutput.txt",
                                                  package = "aquaras",
                                                  mustWork = TRUE),
                         write = FALSE)
listDF
} # }