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GoniometerAnglesFromPhiRotation v1

../_images/GoniometerAnglesFromPhiRotation-v1_dlg.png

GoniometerAnglesFromPhiRotation dialog.

Summary

The 2nd PeaksWorkspace is set up with the correct sample orientations and UB matrices

Properties

Name Direction Type Default Description
PeaksWorkspace1 Input PeaksWorkspace Mandatory Input Peaks Workspace for Run 1
PeaksWorkspace2 InOut PeaksWorkspace Mandatory Input Peaks Workspace for Run 2
Tolerance Input number 0.12 Integer offset for h,k,and l values to be considered valid.(def=.12)
MIND Input number -1 Minimium d-spacing to consider,(def=-1)
MAXD Input number -1 Maximum d-spacing to consider,(def=-1)
Run1Phi Input number 0 Phi for Run 1(def=0.0)
Phi2 InOut number 0 Phi angle for Run2(def=0.0)
Chi2 Output number   Chi angle for Run2
Omega2 Output number   Omega angle for Run2
NIndexed Output number   Number peaks indexed
AvErrIndex Output number   Average abs offset from integer values for indexed peaks
AvErrAll Output number   Average abs offset from integer values for all peaks

Description

This algorithm is used for finding Goniometer angles when instrument readings are basically unknown. The inputs are two PeaksWorkspaces corresponding to sample orientations of the SAME crystal that differ only in their phi rotation.

If the phi angles are known, this algorithm attempts to find the common chi and omega rotations.

Usage

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
ws1 =Load(Filename='SXD23767.peaks')
ws2 = ws1.clone()

#Set orientated lattice
ublist = [-0.06452276,  0.2478114,  -0.23742194, 0.29161678, -0.00914316, -0.12523779, 0.06958942, -0.1802702,  -0.14649001]
SetUB(Workspace=ws1,UB=ublist)

# Run Algorithm
result = GoniometerAnglesFromPhiRotation(ws1,ws2,Tolerance=0.5,MIND=0,MAXD=2)
print("Chi: {:.1f}, Omega: {:.1f}, Indexed: {}, AvErrIndex: {:.2f} AvErrAll: {:.2f}".format(*result))

Output:

Chi: 90.0, Omega: 90.0, Indexed: 300, AvErrIndex: 0.21 AvErrAll: 0.21

Categories: AlgorithmIndex | Crystal\Goniometer

Source

C++ header: GoniometerAnglesFromPhiRotation.h (last modified: 2021-03-31)

C++ source: GoniometerAnglesFromPhiRotation.cpp (last modified: 2021-05-24)