Instruments & Parsers

GC/MS (gas chromatography – mass spectrometry)

Formats & vendors

.csv, .txt, .dat, .tic, .ms from Agilent ChemStation/MassHunter, Shimadzu GCMSsolution and Thermo Trace GC/MS.

What you get

  • Total Ion Chromatogram (TIC) extraction
  • Trapezoidal peak-area integration and area % quantification
  • NIST-style mass-spectral library matching

Call /api/instruments/parse with instrument_type=gcms.

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Go from reading to running

The quickstart tutorial walks the first synthesis, evaluation and prediction on a demo dataset — each step matches a real platform page.