IndexPeaksWithSatellites dialog.
Table of Contents
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| PeaksWorkspace | InOut | PeaksWorkspace | Mandatory | Input Peaks Workspace |
| Tolerance | Input | number | 0.15 | Indexing Tolerance (0.15) |
| ToleranceForSatellite | Input | number | 0.15 | Satellite Indexing Tolerance (0.15) |
| RoundHKLs | Input | boolean | True | Round H, K and L values to integers |
| CommonUBForAll | Input | boolean | False | Index all orientations with a common UB |
| ModVector1 | Input | dbl list | 0,0,0 | Modulation Vector 1: dh, dk, dl |
| ModVector2 | Input | dbl list | 0,0,0 | Modulation Vector 2: dh, dk, dl |
| ModVector3 | Input | dbl list | 0,0,0 | Modulation Vector 3: dh, dk, dl |
| MaxOrder | Input | number | 0 | Maximum order to apply Modulation Vectors. Default = 0 |
| GetModVectorsFromUB | Input | boolean | False | If false Modulation Vectors will be read from input |
| CrossTerms | Input | boolean | False | Include cross terms (false) |
| NumIndexed | Output | number | Gets set with the number of indexed peaks. | |
| AverageError | Output | number | Gets set with the average HKL indexing error. | |
| TotalNumIndexed | Output | number | Gets set with the number of Total indexed peaks. | |
| MainNumIndexed | Output | number | Gets set with the number of indexed main peaks. | |
| SateNumIndexed | Output | number | Gets set with the number of indexed main peaks. | |
| MainError | Output | number | Gets set with the average HKL indexing error of Main Peaks. | |
| SatelliteError | Output | number | Gets set with the average HKL indexing error of Satellite Peaks. |
This Algorithm indexes a PeaksWorkspace with peaks occurring at specific fractional offsets from h,k,or l values. The order can be 1 for +/-1 or 2 for +/-1 and +/-2, etc. See ModulatedStructure for equations.
The input PeaksWorkspace must contain an orientation matrix.
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)
IndexPeaksWithSatellites(fractional_peaks, ModVector1=[-0.5,0,0.0], MaxOrder=1)
fractional_peaks = FilterPeaks(fractional_peaks, FilterVariable='h^2+k^2+l^2', FilterValue=0, Operator='>')
print("Number of fractional peaks: {}".format(fractional_peaks.getNumberPeaks()))
Number of fractional peaks: 122
Categories: AlgorithmIndex | Crystal\Peaks
C++ source: IndexPeaksWithSatellites.cpp (last modified: 2019-10-25)
C++ header: IndexPeaksWithSatellites.h (last modified: 2019-10-18)