Instruments & Parsers

XRD (X-ray diffraction)

Formats & vendors

.raw, .ras, .xrd, .xy, .xrdml, .uxd, .csv, .dat from Bruker, Rigaku, PANalytical and standard ASCII XY.

What you get

  • Background subtraction and peak finding
  • FWHM, Bragg d-spacing, Scherrer crystallite size
  • Phase matching (TiO2, Pt, Pd, CeO2, ZnO and more)

Upload on the Instruments page or POST /api/instruments/parse with instrument_type=xrd. If detection fails, pass the type explicitly.

← Previous
Instruments page (parsing vendor files)
Next →
GC/MS (gas chromatography – mass spectrometry)
← All docsReport a problem on this page →

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.