mnova_prepare_structure_1d
Open 1D NMR and structure files in Mnova, extract atom metadata and stable peak IDs, optionally run Verify, and save a .mnova document for assignment planning.
Instructions
Open 1D NMR plus CDX/CDXML (or another supported structure) in Mnova.
Processes the spectrum, extracts atom metadata and stable peak/multiplet IDs, optionally runs Mnova Verify, and saves a prepared .mnova document. The result is the evidence package used to create a separate assignment-plan JSON.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| input_path | Yes | ||
| output_dir | No | ||
| structure_path | Yes | ||
| run_verification | No | ||
| processing_template_path | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||