v0.3.0

chromConverter 0.3.0

• Fixed bug causing "Chromeleon" metadata parser to fail.
• Fixed bug in "Chemstation" metadata parser.
• Changed format_data argument to data_format to select wide or long format.
• Added support for parsing mzML files with RaMS.
• Added support for parsing "Agilent" (.D) and "Waters" (.raw) files with rainbow.
• Made data_format option available consistently for choosing wide or long format.
• Added parser in R for "Chemstation" FID (.ch) data (versions 81, 179 & 181).
• Improved error handling when loading python modules.
• Improved error-handling for parsing metadata so small problems no longer error out the whole program.

Shimadzu ascii parser

• Fixed bug in 'Shimadzu' ascii parser that was cutting chromatograms short.
• Added automatic detection of decimal separator for reading European-style files.
• Generalized algorithm to acquire 'Shimadzu' DAD metadata.

v0.2.2

• Fixed bug in call_openchrom so that it can actually find 'OpenChrom' path.
• Fixed bug in call_openchrom to allow 'animl' as valid export_format.
• Allow 'Thermo Raw' files to be parsed using 'Entab'.

v0.2.1

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

v0.2.0

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.

v0.1.0

first CRAN release