covnmr_format
Generate publication-style NMR string from FID file.
Pass `smiles` and every 1H entry carries a real proton integral, e.g.
'1H NMR (400 MHz, CDCl3): d 7.26 (d, J=8.1 Hz, 2H), ...'. Without a
structure there is no honest anchor to scale the integration against, so
integrals are omitted and each entry ends after its J value instead
(e.g. '7.26 (d, J=8.1 Hz)').
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| path | Yes | ||
| smiles | No | ||
| api_key | No | ||
| nucleus | No | ||
| solvent | No | CDCl3 | |
| field_mhz | No | ||
| compound_name | No |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |