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ShowPeakHKLOffsets v1

Enable screenshots using DOCS_SCREENSHOTS in CMake

Summary

Histograms, scatter plots, etc. of this data could be useful to detect calibration problems

See Also

StatisticsOfPeaksWorkspace

Properties

Name	Direction	Type	Default	Description
PeaksWorkspace	Input	PeaksWorkspace	Mandatory	Workspace of Peaks with UB loaded
HKLIntegerOffsets	Output	TableWorkspace	HKLIntegerOffsets	Workspace with the Results

Description

Creates a TableWorkspace with offsets of h,k,and l from an integer along with bank and run number.

The maximum of these offsets is also included.

Histograms, scatterplots, etc. of this data can be used to detect problems.

Usage

Example - Run LoadprofResolution for both TableWorkspace and workspace with MUSR Instrument

Note

To run these usage examples please first download the usage data, and add these to your path. In Mantid this is done using Manage User Directories.

#
# Load Peaks found in SXD23767.raw
#
Load(Filename='SXD23767.peaks',OutputWorkspace='peaks_qLab')

#Set orientated lattice
ublist = [-0.06452276,  0.2478114,  -0.23742194, 0.29161678, -0.00914316, -0.12523779, 0.06958942, -0.1802702,  -0.14649001]
SetUB('peaks_qLab',UB=ublist)

# Run Algorithm
table = ShowPeakHKLOffsets('peaks_qLab')

#Print part of first four rows
for i in range(4):
   row = table.row(i)
   print("{{H offset from int: {:.3f}, K offset from int: {:.3f}, L offset from int: {:.3f} }}".
         format(row["H offset from int"], row["K offset from int"], row["L offset from int"]))

Output:

{H offset from int: -0.003, K offset from int: 0.012, L offset from int: 0.063 }
{H offset from int: -0.220, K offset from int: 0.431, L offset from int: -0.193 }
{H offset from int: -0.105, K offset from int: -0.066, L offset from int: -0.232 }
{H offset from int: 0.174, K offset from int: 0.095, L offset from int: 0.440 }

Categories: AlgorithmIndex | Crystal\Peaks

Source

C++ header: ShowPeakHKLOffsets.h

C++ source: ShowPeakHKLOffsets.cpp