diff --git a/Framework/Crystal/src/OptimizeCrystalPlacement.cpp b/Framework/Crystal/src/OptimizeCrystalPlacement.cpp index 2b02a4e69a1f9a34c43e7162ecb077950fce8b77..2245f12df91ec0b2b8744620aa9c36177c70a42f 100644 --- a/Framework/Crystal/src/OptimizeCrystalPlacement.cpp +++ b/Framework/Crystal/src/OptimizeCrystalPlacement.cpp @@ -118,7 +118,7 @@ void OptimizeCrystalPlacement::init() { declareProperty("MaxAngularChange", 5.0, "Max offset in degrees from current settings(def=5)"); - declareProperty("MaxIndexingError", .25, + declareProperty("MaxIndexingError", 0.15, "Use only peaks whose fractional " "hkl values are below this " "tolerance(def=.25)"); diff --git a/Framework/Crystal/src/PeakHKLErrors.cpp b/Framework/Crystal/src/PeakHKLErrors.cpp index b98f1507f5f508d9d6c1f927237086507a442c0c..78142bd7553b21c79be0711becf399f7d8c50df8 100644 --- a/Framework/Crystal/src/PeakHKLErrors.cpp +++ b/Framework/Crystal/src/PeakHKLErrors.cpp @@ -394,11 +394,11 @@ void PeakHKLErrors::function1D(double *out, const double *xValues, } else { peak.setGoniometerMatrix(GonRot * peak.getGoniometerMatrix()); } - V3D sampOffsets(getParameter("SampleXOffset"), getParameter("SampleYOffset"), - getParameter("SampleZOffset")); + V3D sampOffsets(getParameter("SampleXOffset"), + getParameter("SampleYOffset"), + getParameter("SampleZOffset")); peak.setSamplePos(sampOffsets); - V3D hkl = UBinv * peak.getQSampleFrame(); for (int k = 0; k < 3; k++) { @@ -517,8 +517,9 @@ void PeakHKLErrors::functionDeriv1D(Jacobian *out, const double *xValues, chiParamNum = phiParamNum = omegaParamNum = nParams() + 10; peak.setGoniometerMatrix(GonRot * peak.getGoniometerMatrix()); } - V3D sampOffsets(getParameter("SampleXOffset"), getParameter("SampleYOffset"), - getParameter("SampleZOffset")); + V3D sampOffsets(getParameter("SampleXOffset"), + getParameter("SampleYOffset"), + getParameter("SampleZOffset")); peak.setSamplePos(sampOffsets); // NOTE:Use getQLabFrame except for below. // For parameters the getGoniometerMatrix should remove GonRot, for derivs diff --git a/docs/source/release/v3.14.0/diffraction.rst b/docs/source/release/v3.14.0/diffraction.rst index ba61cc82b62e7a67f4a6db354a82645ff150940a..5df2c78bdb41c80a6e344773b6bfef1626db57f1 100644 --- a/docs/source/release/v3.14.0/diffraction.rst +++ b/docs/source/release/v3.14.0/diffraction.rst @@ -50,7 +50,7 @@ Bugfixes - :ref:`SaveIsawPeaks <algm-SaveIsawPeaks>` does not have duplicate peak numbers when saving PeaksWorkspaces with more than one RunNumber. - :ref:`LoadIsawPeaks <algm-LoadIsawPeaks>` now loads the calibration from the peaks file correctly. -- :ref:`OptimizeCrystalPlacement <algm-OptimizeCrystalPlacement>` now updates the sample location used by peaks. Previously, the sample was effectively left unmoved. +- :ref:`OptimizeCrystalPlacement <algm-OptimizeCrystalPlacement>` now updates the sample location used by peaks. Previously, the sample was effectively left unmoved. Default for indexing tolerance was lowered to 0.15. Powder Diffraction ------------------