covnmr_export
Export a spectrum's peak list or curve as CSV, NMReData or JCAMP-DX.
`format`: "csv" (peak list), "nmredata" (peaks + structure + assignments,
pass `smiles`), "jcamp" (JCAMP-DX), "spectrum_csv" (the curve).
THE RESPONSE IS A PREVIEW, THE FILE IS NOT. `content` is capped at
`max_content_chars` (200000) because a whole file rendered into one JSON
string grows with the peak count and nothing else limits it. `content_chars`
is the untruncated length and `content_truncated` says whether it happened.
Give `output_path` and the COMPLETE file is written to disk first --
truncation only ever affects the copy that travels back.
The FILE decides nucleus, field and solvent, not the arguments: a 13C APT
was otherwise archived as `> <NMREDATA_1D_1H>` at `Larmor=400.0`. Measured
on a real APT the export reports nucleus 13C at 100.58 MHz, and the
substitution is named in `nucleus_warning`.
Input Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| path | Yes | ||
| format | No | csv | |
| smiles | No | ||
| api_key | No | ||
| nucleus | No | ||
| solvent | No | CDCl3 | |
| field_mhz | No | ||
| output_path | No | ||
| compound_name | No | ||
| max_content_chars | No |
Output Schema
TableJSON Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |