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@ethanbass ethanbass released this 28 Nov 21:51
· 70 commits to master since this release
v0.5.0
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chromConverter 0.5.0

New features

  • Added support for parallel processing through pbapply package. (Note: The pbapply package must be manually installed to enable parallel processing).
  • Added internal parser for 'Agilent Chemstation' version 31 files (through read_chemstation_uv function).
  • Added support for 'Agilent OpenLab' version 131 files through internal parser.
  • Added preliminary support for reading 'Agilent' (.dx) files (through read_agilentdx function).
  • Added support for reading 'Chemstation' REPORT files.
  • Added parser for Shimadzu .lcd files through the read_shimadzu_lcd function. Only the PDA stream (not MS) is currently supported.
  • Added read_peaklist function for reading peak lists. Currently 'Agilent Chemstation' and 'Shimadzu ASCII' formats are supported.
  • Added verbose argument to control console output for external parsers ('OpenChrom' and 'ThermoRawFileParser').

Other Improvements

  • Improved automatic filetype detection by read_chroms.
  • Refactored read_thermoraw function to simplify paths.
  • The thermoraw and openchrom parsers now use a proper temp directory if an export directory is not specified through the path_out argument.
  • Re-factored reshape_chroms, speeding up conversion from wide to long format.
  • Added additional tests, attaining 82% test coverage.
  • Changed default openchrom export format to mzml.
  • Minor changes to some metadata fields to better standardize results across different file formats and parsers.
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