6.2

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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
  1. SampleXOffset- XOffset of Goniometer center from instrument center in meters
  2. SampleYOffset- YOffset of Goniometer center from instrument center in meters
  3. SampleZOffset- YOffset of Goniometer center from instrument center in meters
  4. GonRotx- For Goniometer tilt. Rotation about x-axis in degrees where Tilt = Rotx(GonRotx)*Roty(GonRoty)*Rotz(GonRotz)
  5. GonRoty- For Goniometer tilt. Rotation about y-axis
  6. GonRotz- For Goniometer tilt. Rotation about z-axis( done 1st AFTER phi-chi-omega rotations)
  7. chixxx - xxx is a run number from OptRuns. This is the chi angle in degrees that will be used for that run( before tilting)
  8. phixxx - xxx is a run number from OptRuns. This is the phi angle in degrees that will be used for that run
  9. 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 (last modified: 2021-03-31)

C++ source: PeakHKLErrors.cpp (last modified: 2021-05-05)