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ShowPeakHKLOffsets dialog.
Table of Contents
Histograms, scatter plots, etc. of this data could be useful to detect calibration problems
| Name | Direction | Type | Default | Description |
|---|---|---|---|---|
| PeaksWorkspace | Input | PeaksWorkspace | Mandatory | Workspace of Peaks with UB loaded |
| HKLIntegerOffsets | Output | TableWorkspace | HKLIntegerOffsets | Workspace with the Results |
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.
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