Instruments & Parsers

NMR (1H / 13C)

Formats & vendors

.jdx, .dx, .pkn, .csv, .txt from JCAMP-DX, Bruker TopSpin, Varian VnmrJ and JEOL Delta.

What you get

  • Chemical shift extraction (ppm)
  • Solvent peak identification (CDCl3, DMSO, D2O …)
  • Multiplet splitting (s, d, t, q, m) and proton integral normalization

Solvent identification helps avoid mistaking residual solvent peaks for analyte peaks.

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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.