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Reads 'Shimadzu' ascii files into R. These files can be exported from 'Shimadzu LabSolutions' by right clicking on samples in the sample list and selecting

Usage

read_shimadzu(
  file,
  what = "chromatogram",
  format_in = NULL,
  include = c("fid", "lc", "dad", "uv", "tic"),
  format_out = c("matrix", "data.frame"),
  data_format = c("wide", "long"),
  peaktable_format = c("chromatographr", "original"),
  read_metadata = TRUE,
  metadata_format = c("chromconverter", "raw"),
  ms_format = c("data.frame", "list"),
  collapse = TRUE
)

Arguments

file

Path to file.

what

Whether to extract chromatogram, peak_table, and/or ms_spectra. Accepts multiple arguments.

format_in

This argument is deprecated and is no longer required.

include

Which chromatograms to include. Options are fid, dad, uv, tic, and status.

format_out

R format. Either matrix or data.frame.

data_format

Whether to return data in wide or long format.

peaktable_format

Whether to return peak tables in chromatographr or original format.

read_metadata

Whether to read metadata from file.

metadata_format

Format to output metadata. Either chromconverter or raw.

ms_format

Whether to return mass spectral data as a (long) data.frame or a list.

collapse

Logical. Whether to collapse lists that only contain a single element.

Value

A nested list of elements from the specified file, where the top levels are chromatograms, peak tables, and/or mass spectra according to the value of what. Chromatograms are returned in the format specified by format_out (retention time x wavelength).

Author

Ethan Bass