CalculatePeaksHKL v1¶

CalculatePeaksHKL dialog.

Table of Contents

Summary
Properties
Description
Alternatives
Usage
Source

Summary ¶

Calculates Miller indices for each peak. No rounding or UB optimization.

Properties ¶

Name	Direction	Type	Default	Description
PeaksWorkspace	InOut	PeaksWorkspace	Mandatory	Input Peaks Workspace
OverWrite	Input	boolean	False	Overwrite existing miller indices as well as empty ones.
NumIndexed	Output	number		Gets set with the number of indexed peaks.

Uses the UB matrix on the sample to calculate the Miller indices for all peaks in the peaks workspace. Unlike IndexPeaks v1 this algorithm does not perform any mandatory optimization. This algorithm does not round the Miller indices to the nearest integer.

Alternatives ¶

IndexPeaks v1

Usage ¶

Example - Calculate peak HKL values based on UB matrix

mdew = Load("TOPAZ_3680_5_sec_MDEW.nxs")
# Find some peaks. These are all unindexed so will have HKL = [0,0,0]
peaks = FindPeaksMD(InputWorkspace=mdew, MaxPeaks=1)

# Set the UB to unity
SetUB(peaks, UB=[1,0,0,0,1,0,0,0,1])

# Run the algorithm
indexed = CalculatePeaksHKL(PeaksWorkspace=peaks, OverWrite=True)

print "Number of Indexed Peaks: ", indexed