Restraints¶
Restraints narrow the database search by pre-filtering cards that do not match specified chemical or crystallographic criteria.
Open Search → Restraints.
Properties tab¶
| Field | Description |
|---|---|
| Chemical name | Filter by compound name (partial match) |
| Color | Filter by crystal color |
| Density (calc.) | Filter by calculated density ± tolerance |
| Density (meas.) | Filter by measured density ± tolerance |
Composition tab¶
| Field | Description |
|---|---|
| Elements | Include/exclude chemical elements |
| Mode | Contains (AND/OR), Only (exact composition), Just (at least these) |
Symmetry tab¶
| Field | Description |
|---|---|
| Crystal system | Filter by crystal system (cubic, tetragonal, …) |
| Space group | Filter by space group symbol |
| Cell parameters | Filter by unit cell constants a, b, c, α, β, γ ± tolerance |
Entries tab¶
Paste a list of card IDs (one per line) to restrict the search to those specific entries.
Subfiles tab¶
Filter by PDF-2 subfile codes (e.g., I = inorganic, O = organic).
Buttons¶
| Button | Action |
|---|---|
| Load cards | Query the database with the current restraints (replaces results) |
| Load & Merge | Query and add results to the current list |
| Search & Match | Run a FOM-ranked search within the restrained subset |