PredictSatellitePeaks v1

../_images/PredictSatellitePeaks-v1_dlg.png

PredictSatellitePeaks dialog.

Summary

The offsets can be from hkl values in a range of hkl values or from peaks in the input PeaksWorkspace

Properties

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

Description

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

Usage

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

Source

C++ source: PredictSatellitePeaks.cpp (last modified: 2019-06-05)

C++ header: PredictSatellitePeaks.h (last modified: 2019-03-19)