solve
Run structure solution on SHELX .ins and .hkl files using direct methods (SHELXS) or dual-space (shelxt) to determine crystallographic structures from diffraction data.
Instructions
Run structure solution (default SHELXS direct methods; use shelxt for dual-space).
Requires an .ins file set up for solution (TITL, CELL, ZERR, LATT, SYMM, SFAC, UNIT, plus a solution-specific instruction such as TREF or FMAP, and HKLF/END) and the corresponding .hkl data.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| hkl | No | ||
| ins | Yes | ||
| program | No | shelxs | |
| timeout | No | ||
| basename | No | solve |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |