v0.5.0 #20
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v0.5.0 #20
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clean up whitespace
implemented more general solution that doesn't require existence of metadata stream to pre-determine the number of rows in the chromatogram
fixed data_format attribute bug in chromeleon and shimadzu parsers
- feat: added `metadata_format` argument in `read_waters_arw`, `read_shimadzu`, `read_chromeleon`, `read_cdf` - fixed bug in chromeleon parser (missing decimal_separator argument) - added missing whitespace, - fixed long format bug in read_shimadzu (missing data_format argument) - removed zombie code
- simplified parsing of paths - function uses real temp directory now
feat: added `metadata_format` argument to aston and entab parsers - added whitespace - fixed long format bug (missing `data_format` argument)
- infer intercept if it can't be read from file - copy dx before unzipping to prevent file erasure - added path_out argument to read_agilent_dx
- added better support for automatic filetype detection - updates to match new behavior of `read_thermoraw`
- refactored code, splitting off decoding of data into independent functions
- added support for openlab_131 - added rename_list function
Create read_mzml.R
moved transfer_metadata function into attach_metadata sourcefile
- use attach_metadata function internally - move offsets to get_agilent_offsets function
added UV offsets to get_agilent_offsets Update read_chemstation_ch.Rd
- added metadata_format option - allow reshaping of 1D chromatograms - standardized treatment of metadata to improve consistency of results with internal chemstation parsers
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chromConverter 0.5.0
New features
pbapplypackage. (Note: Thepbapplypackage must be manually installed to enable parallel processing).read_chemstation_uvfunction)..dx) files (throughread_agilentdxfunction)..lcdfiles through theread_shimadzu_lcdfunction. Only the PDA stream (not MS) is currently supported.read_peaklistfunction for reading peak lists. Currently 'Agilent Chemstation' and 'Shimadzu ASCII' formats are supported.verboseargument to control console output for external parsers ('OpenChrom' and 'ThermoRawFileParser').Other Improvements
read_chroms.read_thermorawfunction to simplify paths.thermorawandopenchromparsers now use a proper temp directory if an export directory is not specified through thepath_outargument.reshape_chroms, speeding up conversion from wide to long format.openchromexport format tomzml.Bug fixes
what == "peak_table"andread_metadata == TRUE).format_out == "matrix".data_formatattributes in 'Waters ARW' and 'Chromeleon' parsers.