PeakHKLErrors¶

Description¶

This function calculates, for each peak, its h, k, and l offsets from an integer using goniometer settings and/or tilt and sample offsets from the parameters.

The original PeaksWorkspace is unchanged.

Outputs¶

The PeaksWorkspace is NOT changed.

The argument out in function1D has ,for each peak, the h,k, and l offsets from an integer using the current parameter values.

Attributes (non-fitting parameters)¶

Name	Type	Default	Description
OptRuns			A list of run numbers whose sample orientations are to be optimized. The list is separated by `/`
PeakWorkspaceName			The name of the PeaksWorkspace in the AnalysisDataService

Properties (fitting parameters)¶

Name	Default	Description
SampleXOffset	0.0	Sample x offset
SampleYOffset	0.0	Sample y offset
SampleZOffset	0.0	Sample z offset
GonRotx	0.0	3rd Rotation of Goniometer about the x axis
GonRoty	0.0	2nd Rotation of Goniometer about the y axis
GonRotz	0.0	1st Rotation of Goniometer about the z axis

SampleXOffset- XOffset of Goniometer center from instrument center in meters
SampleYOffset- YOffset of Goniometer center from instrument center in meters
SampleZOffset- YOffset of Goniometer center from instrument center in meters
GonRotx- For Goniometer tilt. Rotation about x-axis in degrees where Tilt = Rotx(GonRotx)*Roty(GonRoty)*Rotz(GonRotz)
GonRoty- For Goniometer tilt. Rotation about y-axis
GonRotz- For Goniometer tilt. Rotation about z-axis( done 1st AFTER phi-chi-omega rotations)
chixxx - xxx is a run number from OptRuns. This is the chi angle in degrees that will be used for that run( before tilting)
phixxx - xxx is a run number from OptRuns. This is the phi angle in degrees that will be used for that run
omegaxxx - xxx is a run number from OptRuns. This is the omega angle in degrees that will be used for that run

Note

When used in fitting, some or all of the first 6 parameters could be tied to zero.

Categories: FitFunctions | Calibration

Source¶

C++ source: PeakHKLErrors.cpp

C++ header: PeakHKLErrors.h