Python script that reads GC-MS or LC-MS data stored in the ANDI/AIA NetCDF (.CDF) open interchange format and exports each file as a tab-separated plain text file. The output includes global metadata, instrument information, a Total Ion Chromatogram (TIC) table, and the full mass spectral data with scan number, retention time, m/z, and intensity columns. Handles the ragged-array layout used by the ANDI/AIA standard (flat mass_values/intensity_values arrays indexed by scan_index and point_count). Supports batch conversion of entire directories. Only requires scipy as a dependency.
References:
ASTM International. (2024). ASTM E2077-00(2024), Standard specification for analytical data interchange protocol for mass spectrometric data. https://doi.org/10.1520/E2077-00R24
ASTM International. (2014). ASTM E1947-98(2014), Standard specification for analytical data interchange protocol for chromatographic data. https://doi.org/10.1520/E1947-98R14
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