PredictFractionalPeaks dialog.
Table of Contents
The offsets can be from hkl values in a range of hkl values or from peaks in the input PeaksWorkspace
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| Peaks | Input | IPeaksWorkspace | Mandatory | Workspace of Peaks with orientation matrix that indexed the peaks and instrument loaded |
| FracPeaks | Output | IPeaksWorkspace | Mandatory | Workspace of Peaks with peaks with fractional h,k, and/or l values |
| HOffset | Input | dbl list | -0.5,0,0.5 | Offset in the h direction |
| KOffset | Input | dbl list | 0 | Offset in the h direction |
| LOffset | Input | dbl list | -0.5,0.5 | Offset in the h direction |
| IncludeAllPeaksInRange | Input | boolean | False | If false only offsets from peaks from Peaks are used |
| Hmin | Input | number | -8 | Minimum H value to use |
| Hmax | Input | number | 8 | Maximum H value to use |
| Kmin | Input | number | -8 | Minimum K value to use |
| Kmax | Input | number | 8 | Maximum K value to use |
| Lmin | Input | number | -8 | Minimum L value to use |
| Lmax | Input | number | 8 | Maximum L value to use |
This Algorithm creates a PeaksWorkspace with peaks occurring at specific fractional offsets from h,k,or l values.
There are options to create Peaks offset from peaks from the input PeaksWorkspace, or to create peaks offset from h,k, and l values in a range. Zero offsets are allowed if some or all integer h,k, or l values are desired
The input PeaksWorkspace must contain an orientation matrix and have been INDEXED by THIS MATRIX when the new peaks are not created from a range of h ,k, and l values
Example:
peaks = LoadIsawPeaks("TOPAZ_3007.peaks")
LoadIsawUB(peaks,"TOPAZ_3007.mat")
IndexPeaks(peaks)
fractional_peaks = PredictFractionalPeaks(peaks, HOffset=[-0.5,0,0.5],KOffset=0,LOffset=0.2)
print("Number of fractional peaks: {}".format(fractional_peaks.getNumberPeaks()))
Number of fractional peaks: 117
Categories: Algorithms | Crystal\Peaks
C++ source: PredictFractionalPeaks.cpp (last modified: 2018-03-15)
C++ header: PredictFractionalPeaks.h (last modified: 2016-06-15)