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v0.2.0

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@ethanbass ethanbass released this 03 Jul 19:36
· 361 commits to master since this release

New features and formats

  • Added read_shimadzu function for parsing Shimadzu ascii files.
  • Added read_chromeleon function for parsing Chromeleon ascii files.
  • Added read_thermoraw function to convert ThermoRawFiles by calling the ThermoRawFileParser.
  • Added read_mzml function to extract UV data from mzML files using mzR.
  • Added call_entab function for calling Entab parsers.
  • Added call_openchrom to call OpenChrom parsers through the command-line interface.

(All of the new functions described above can be called from the read_chroms function by setting the format_in and parser arguments).

  • New option to read and attach instrumental metadata to chromatograms by setting read_metadata = TRUE in read_chroms.

Simplification of read_chroms syntax

  • read_chroms will now automatically assign a parser if the parser isn't specified.
  • read_chroms will throw more informative errors for mismatch between format_in and parser arguments.
  • read_chroms will try to automatically determine if files or directories are being provided.

Other changes to read_chroms syntax:

Dots were replaced with underscores in all arguments to read_chroms for internal syntactical consistency across the package. Thus:

  • The argument to specify the format of R objects was changed from R.format to format_out.
  • The argument to specify the format for exported files was changed from format.out to export_format.