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Summary
Add persistent XRD workbenches to MC so users can import an experimental spectrum, search local reference databases, run bounded Jev multiphase screening, and jointly refine selected combinations without leaving the application. Opening another XRD workbench creates an independent tab and workspace.
Validation
main(e509fb9, v2.25.0).git diff --check origin/main HEADpassed (vendored scientific-source formatting retained via path-scoped attributes).Scope and setup
This version supports local mode; XRD HTTP routes reject server mode. Configure
MATCREATOR_XRD_PYTHONfor the scientific environment and optionallyOAW_XRD_ROOTfor an existing QualX installation. Users supply their own COD database and Jev credential. Seesrc/matcreator/xrd/README.mdand the synthetic API smoke script for setup and reproducible checks.The real-data review completed with
converged=false. Search score and low residual do not establish phase identity, purity or mass fractions; the highest quick-search score is not guaranteed to give the lowest joint-refinement residual. The validation above is software acceptance, not a scientific phase assignment.