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GoniometerAnglesFromPhiRotation v1

Summary

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

See Also

SetGoniometer

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