Search & Match¶
QualX identifies crystalline phases by comparing the experimental peak list against a reference database and ranking candidates by a Figure of Merit (FOM).
Menu¶
| Action | Description |
|---|---|
| Search → Search & Match | Run a full search using current peaks and options |
| Search → Search & Match Options | Configure FOM weights, Δ2θ, min. FOM |
| Search → Restraints | Restrict the search to specific elements, space groups, etc. |
| Search → Manage Databases | Add, remove or switch reference databases |
Results List¶
After a search, the Results List dock shows ranked candidates with columns:
| Column | Description |
|---|---|
| (colour) | Unique colour assigned to the card |
| QM | Quality mark of the reference card |
| ID | Card identifier |
| Chemical Name | Compound name |
| Chemical Formula | Chemical formula |
| Peakpos. | Peak-position component of FOM |
| Intensity | Intensity component of FOM |
| Scale | Intensity scale factor |
| FOM | Total Figure of Merit (higher = better match) |
| S-Quant. | Semi-quantitative percentage (RIR, if available) |
See Search Match and Restraints for details.