6.4

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ShowPeakHKLOffsets v1

../_images/ShowPeakHKLOffsets-v1_dlg.png

ShowPeakHKLOffsets dialog.

Summary

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

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