NEWS.md

In chromConverter: Chromatographic File Converter

chromConverter 0.2.1

• Added configure_aston function for configuration of Aston parsers and fixed issues with configuration of Aston.

chromConverter 0.2.0

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.

chromConverter 0.1.0

• Added a NEWS.md file to track changes to the package.

chromConverter documentation built on July 11, 2022, 9:06 a.m.