\(\renewcommand\AA{\unicode{x212B}}\)
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++ header: PeakHKLErrors.h
C++ source: PeakHKLErrors.cpp