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GoniometerAnglesFromPhiRotation v1¶
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Summary¶
The 2nd PeaksWorkspace is set up with the correct sample orientations and UB matrices
See Also¶
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
C++ source: GoniometerAnglesFromPhiRotation.cpp