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Expose PowderPatternDiffraction.X2XCorrPhase - #114

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vincefn merged 4 commits into
diffpy:mainfrom
clemisch:x2xcorrphase-public
Sep 1, 2026
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Expose PowderPatternDiffraction.X2XCorrPhase#114
vincefn merged 4 commits into
diffpy:mainfrom
clemisch:x2xcorrphase-public

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@clemisch

@clemisch clemisch commented Aug 31, 2026

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After vincefn/objcryst#73 which allows per-phase displacement, it's necessary to call per-phase peak position correction if we want to get reflection 2θ positions for a phase.
It's not sufficient to call PowderPattern.X2XCorr because it can't apply per-phase corrections and will give incorrect 2θ values.

For refinement, all this is handled behind the scenes, but we might want the 2θ positions for plotting.

@vincefn
vincefn merged commit a55bf63 into diffpy:main Sep 1, 2026
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