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CovaSyn Chemistry Tools

covnmr_analyze

Full NMR analysis: load FID, process, pick peaks, analyze multiplets, format NMR string. Optional structure verification if SMILES given.

Nucleus and spectrometer frequency are read from the file; give them only for
a file that declares none.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
pathYes
smilesNo
api_keyNo
nucleusNo
solventNoCDCl3
field_mhzNo

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

Score is being calculated.

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