Match phase data and apply a chosen origin shift - #358
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This was referenced Aug 22, 2026
tjlane
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! This PR was vibe-coded.
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Part 8 of 11 for #31. Depends on #357. Merge bottom-up.
Next branch: codex/phase-alignment-09-align-api.
What this implements
Adds the DataSet boundary for phase alignment: phase-column validation, common-HKL matching independent of row order, amplitude or intensity-derived weights, optional FOM factors, and application of a Phenix-sign origin shift to a copied dataset.
Phase MTZ dtypes are restored after transformation, complex columns receive the same phase multiplier, and inputs are not mutated.
Tests
Direct tests cover HKL matching, amplitude-product weights, intensity equivalence, minimum finite overlap, Phase dtype restoration, and the documented Phenix sign convention.
Reviewer focus
Related: #31 and #174.