v0.8.0

chromConverter 0.8.0

• Improved support for 'Agilent Openlab' .dx files: extraction of DAD and auxiliary instrumental data (stored in .IT files).
• Refactored read_shimadzu_qgd for a 1.4x speedup in the parsing of Shimadzu .qgd files, cutting execution time by 30%.
• Refactored read_shimadzu_lcd for a 2.4x speedup in the parsing of Shimadzu .lcd files, cutting execution time by 60%.
• Refactored write_mzml for massive speed-up when writing mzML files, especially for large MS data.
• Fixed 'Shimadzu' metadata time zone offsets.
• Fixed misplaced parentheses in read_agilent_d causing possible bug.
• Fixed bug in read_chemstation_uv causing error for long format data.
• Added more informative error messages for read_agilent_d.
• Added additional tests for retention times and data_format attribute.
• Added data_format and read_metadata arguments for read_chemstation_csv.
• Fixed incorrect data_format attributes for MS data to reflect that they are always returned in long format.
• Fixed documentation to accurately reflect the fact that MS data is always returned in long format.
• Automatically return long format when data.table output is selected since data.tables do not have rownames.
• Fixed error due to fractional timezones in Shimadzu metadata (e.g., India +05:30).
• Fixed bug in write_mzml causing retention time shifts for BPC and TIC.
• Rewrote configure_python_environment function to facilitate configuration of a chromConverter virtual environment or conda environment, though a dedicated environment is no longer required (as of chromConverter v0.7.4).
• Fixed bug in collapse argument causing functions to return vector when format_out is data.frame.
• Fixed bug causing elimination of retention times when format_out is data.table.
• Enabled data.table format in read_shimadzu_ascii.
• Enabled automatic recognition of 'Agilent OpenLab' .dx file by read_chroms.
• Fixed long format output for read_shimadzu ('Shimadzu' ASCII files).
• Fixed timezone issue in some 'Agilent ChemStation' files.