Ticket #8682 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

OptimizeLatticeForCellType should have option for separate lattice for each run in PeaksWorkspace

Reported by: Vickie Lynch Owned by: Vickie Lynch
Priority: major Milestone: Release 3.1
Component: Diffraction Keywords:
Cc: Blocked By: #8651
Blocking: Tester: Andrei Savici

Description

Lsqrs in ISAW has this option

Change History

comment:1 Changed 7 years ago by Vickie Lynch

  • Owner set to Vickie Lynch

comment:2 Changed 7 years ago by Vickie Lynch

  • Status changed from new to inprogress

Refs #8682 option to optimize by each run number

Changeset: 23c56302f4585c6ae95fc93d5dfa20cf945b7dc3

comment:3 Changed 7 years ago by Vickie Lynch

Here are the ‘correct’ cell parameters obtained with the ISAW Least Squares program: 

0.16507626 -0.12968443 -0.12134928
 0.07782786  0.07536920 -0.21692437
 0.05635740  0.03985884  0.03406858
     4.7622      4.7622     12.9908     90.0000     90.0000    120.0000    255.1367
     0.0002      0.0002      0.0007      0.0000      0.0000      0.0000      0.0188

To test use PerRun=True and look at output files that start with 'ls'. Here is testing script: 

LoadIsawPeaks(Filename=r'/SNS/TOPAZ/2013_1_12_SCI/shared/Sapphire_6674_6697_7097_7103/Integrate/Sapphire_Niggli.integrate',OutputWorkspace='sapphire_peaks')
FindUBUsingIndexedPeaks(PeaksWorkspace='sapphire_peaks',Tolerance='0.12')
ShowPossibleCells(PeaksWorkspace='sapphire_peaks',MaxScalarError='0.12',BestOnly='0')
SelectCellOfType(PeaksWorkspace='sapphire_peaks',CellType='Rhombohedral',Centering='R',Apply='1',Tolerance='0.12')
OptimizeLatticeForCellType(PeaksWorkspace='sapphire_peaks',CellType='Hexagonal',Apply='1',PerRun='1')

comment:4 Changed 7 years ago by Vickie Lynch

  • Status changed from inprogress to verify
  • Resolution set to fixed

comment:5 Changed 7 years ago by Andrei Savici

  • Status changed from verify to verifying
  • Tester set to Andrei Savici

comment:6 Changed 7 years ago by Andrei Savici

  • Status changed from verifying to closed

Merge remote-tracking branch 'origin/feature/8682_OptimizeLatticeForCellType_by_run'

Full changeset: ​a8335a8115994b6b5d1e84b9a388d9886cdbeec7

comment:7 Changed 7 years ago by Nick Draper

  • Component changed from Framework to Diffraction

comment:8 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​9526

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