PredictSatellitePeaks 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 | PeaksWorkspace | Mandatory | Workspace of Peaks with orientation matrix that indexed the peaks and instrument loaded |
| SatellitePeaks | Output | PeaksWorkspace | Mandatory | Workspace of Peaks with peaks with fractional h,k, and/or l values |
| ModVector1 | Input | dbl list | 0,0,0 | Offsets for h, k, l directions |
| ModVector2 | Input | dbl list | 0,0,0 | Offsets for h, k, l directions |
| ModVector3 | Input | dbl list | 0,0,0 | Offsets for h, k, l directions |
| MaxOrder | Input | number | 0 | Maximum order to apply ModVectors. Default = 0 |
| GetModVectorsFromUB | Input | boolean | False | If false Modulation Vectors will be read from input |
| CrossTerms | Input | boolean | False | Include cross terms (false) |
| IncludeIntegerHKL | Input | boolean | True | If false order 0 peaks are not included in workspace (integer HKL) |
| IncludeAllPeaksInRange | Input | boolean | False | If false only offsets from peaks from Peaks workspace in input are used |
| WavelengthMin | Input | number | 0.1 | Minimum wavelength limit at which to start looking for single-crystal peaks. |
| WavelengthMax | Input | number | 100 | Maximum wavelength limit at which to start looking for single-crystal peaks. |
| MinDSpacing | Input | number | 0.1 | Minimum d-spacing of peaks to consider. Default = 1.0 |
| MaxDSpacing | Input | number | 100 | Maximum d-spacing of peaks to consider |
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 order can be 1 for +/-1 or 2 for +/-1 and +/-2, etc.
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 = PredictSatellitePeaks(peaks, ModVector1=[-0.5,0,0.0], MaxOrder=1)
print("Number of fractional peaks: {}".format(fractional_peaks.getNumberPeaks()))
Number of fractional peaks: 122
Categories: AlgorithmIndex | Crystal\Peaks
C++ header: PredictSatellitePeaks.h (last modified: 2020-03-20)
C++ source: PredictSatellitePeaks.cpp (last modified: 2020-04-07)