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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).

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.