Support fixed pink-beam asymmetry in powder calibration#947
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Lines 22683 22696 +13
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Add an optional `fixed_pink_asymmetry` argument to PowderCalibrator and SpectrumModel that pins the pink-beam shape parameters (alpha/beta for dcs, sigma for heating, tau for exponential) from a prior WPPF refinement and holds them fixed during the fit. This is needed because WPPF can often refine asymmetry parameters to very accurate values since the parameters are being refined for the entire spectrum. But in the PowderCalibrator and SpectrumModel, asymmetry parameters are refined for each peak, which can sometimes lead to unrealistic results. Allowing the asymmetry params to be set from WPPF allows us to fix them to be realistic for powder calibration. Signed-off-by: Patrick Avery <patrick.avery@kitware.com>
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Overview
Add an optional
fixed_pink_asymmetryargument to PowderCalibrator and SpectrumModel that pins the pink-beam shape parameters (alpha/beta for dcs, sigma for heating, tau for exponential) from a prior WPPF refinement and holds them fixed during the fit.This is needed because WPPF can often refine asymmetry parameters to very accurate values since the parameters are being refined for the entire spectrum. But in the PowderCalibrator and SpectrumModel, asymmetry parameters are refined for each peak, which can sometimes lead to unrealistic results.
Allowing the asymmetry params to be set from WPPF allows us to fix them to be realistic for powder calibration.
Affected Workflows
Powder