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chromConverter

ANALYTICS
Velocity0.0

R package chromConverter by ethanbass — release notes from GitHub.

github.com/ethanbass/chromConverter ↗

The chromatography file-format translator keeps absorbing vendor formats one release at a time

analytical-chemistryfile-formatschromatographyr-packagedata-import
◆Current state
chromConverter reads proprietary chromatography data files into R. Version 0.9.0 adds four input paths — Agilent ACAML markup, Agilent OpenLab .amx method files, preliminary Chromatotec .Chrom support, and plain UTF-8 CSV — while consolidating sample_id and vial into a single sample_position field and introducing a chrom_list class whose print method shows a compact metadata summary instead of dumping every chromatogram.
◆Where it's heading
Format coverage is the product, so each release reads as a list of newly readable vendors. The more interesting movement in 0.9.0 is around the data rather than the parsers: consolidating metadata fields, defaulting the rainbow parser to sparse output for long-format MS data, and reordering read_agilent_d to prioritise DAD data over 2D chromatograms. Those are opinions about what users actually want back, and each one breaks existing code.
◆Prediction
Chromatotec support is described as preliminary, which is the same language that has preceded fuller parser support in this package before.

◆Recent moves

  1. 2mo ago

    Four new vendor formats and a breaking metadata consolidation

    Four new input paths — Agilent ACAML, OpenLab .amx method files, preliminary Chromatotec .Chrom, and UTF-8 CSV — arrive alongside breaking changes that consolidate sample_id and vial into sample_position, default the rainbow parser to sparse output, and reprioritise read_agilent_d toward DAD data. A new chrom_list class prints a metadata summary rather than the full contents.

    View source ↗
  2. 1y ago

    sample_names reworked to read names from file metadata

    The sample_names argument stops accepting a vector and instead takes basename or sample_name, choosing between the file name and the name encoded in the file's own metadata. Also adds a data.table output option to extract_metadata and improves its error messages.

    View source ↗