Sequential fitting across multi-structure projects, with clearer peak-asymmetry settings#206
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…pic β-tensor ADPs
…djust validation requirements
Codecov Report❌ Patch coverage is
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## develop #206 +/- ##
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+ Coverage 90.30% 90.32% +0.01%
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Files 283 283
Lines 24175 24181 +6
Branches 2834 2835 +1
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+ Hits 21832 21842 +10
+ Misses 1747 1743 -4
Partials 596 596
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Sequential fitting now supports projects built from more than one structure, so a temperature or composition series on a multi-phase model can be fit dataset-by-dataset in a single run.
The four constant-wavelength pseudo-Voigt "empirical asymmetry" settings have been renamed to
asym_beba_a0,asym_beba_b0,asym_beba_a1, andasym_beba_b1after the Bérar–Baldinozzi model they implement, so each value's role is explicit instead of an anonymous1…4. Scripts and saved projects that used the oldasym_empir_*names will need updating.A new Y₂O₃ cross-engine verification page checks the anisotropic β-tensor ADP convention and the cylindrical absorption correction against a FullProf reference, and documents that the Bérar–Baldinozzi asymmetry is applied with different conventions in cryspy and FullProf, so those coefficients do not transfer one-to-one between the two programs.
Sequential-results plots now connect points in ascending order along the x axis.
Secondary scopes in this branch: documentation (Y₂O₃ verification page) and maintenance (parameter rename, plan/ADR cleanup).