Introduce per-phase sample-detector displacement with flat detector#73
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clemisch wants to merge 3 commits into
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Introduce per-phase sample-detector displacement with flat detector#73clemisch wants to merge 3 commits into
clemisch wants to merge 3 commits into
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Before, PowderPattern calculated delta from its displacement, and phase calculated delta from per-phase displacement, then the deltas were added. Physically this doesn't make sense. Displacements should be added and delta computed from combined (physical) displacement. This is implemented in this commit.
after last commit the function CalcFlatDetDispShift had only one call site so we might as well inline it
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Introduces model for sample-detector displacement, assuming transmission geometry and a flat detector as presented in Hulbert2023.
Unlike other displacements (
m2ThetaDisplacement,m2ThetaTransparency) which act only on the whole PowderPattern (i.e. all phases), this new displacement can act also per-phase. In eachPowderPatternDiffractionit combines per-sample and per-phase displacement and computes resulting 2θ shift from it.m2ThetaFlatDetDispRatiois the sample displacement, andm2ThetaPhaseFlatDetDispRatiois the per-phase displacement.GSAS-II has something similar called
LayerDisphere which allows per-phase offsets. Afaik it's currently undocumented.