Ticket #7412 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

PeakIntensityVsRadius fixes/improvements

Reported by: Peter Peterson Owned by: Vickie Lynch
Priority: major Milestone: Release 2.6
Component: Framework Keywords:
Cc: ajschultz2@… Blocked By:
Blocking: Tester: Samuel Jackson

Description (last modified by Vickie Lynch) (diff)

This algorithm is either broken or needs better documentation.

Also, this would benefit from outputting a second workspace which is the number of peaks integrated to I/sigma at levels of 2, 3, 5, and 10. Each level is a separate spectrum. This is adding the functionality that Art has in his python script.

Change History

comment:1 Changed 7 years ago by Vickie Lynch

  • Status changed from new to accepted

comment:2 Changed 7 years ago by Nick Draper

  • Status changed from accepted to assigned

comment:3 Changed 7 years ago by Nick Draper

  • Status changed from assigned to new

comment:4 Changed 7 years ago by Vickie Lynch

  • Status changed from new to inprogress

Refs #7412 new workspace with number of peaks with I/sigI > n

Changeset: 9eb02756636a8d26c821e2d8696b2dbfa9fd58e7

comment:5 Changed 7 years ago by Vickie Lynch

Refs #7412 optional second workspace name

Changeset: 091d43f718369096278c37ca495db4672f0cabf3

comment:6 Changed 7 years ago by Vickie Lynch

  • Description modified (diff)

This algorithm works and the wiki documentation looks good. One possible source of error is if the CoordinatesToUse does not match the type of InputWorkspace. I will make a new ticket to add a getCoordinateSystem function to MDWorkspaces. The requested workspace was added. To test: 

Load(Filename='TOPAZ_6674_event.nxs',OutputWorkspace='TOPAZ_6674_event',FilterByTofMin='2000',FilterByTofMax='16500',LoadMonitors='1',MonitorsAsEvents='1')
ConvertToDiffractionMDWorkspace(InputWorkspace='TOPAZ_6674_event',OutputWorkspace='TOPAZ_6674_MD',OutputDimensions='Q (sample frame)',SplitThreshold='50',MaxRecursionDepth='11')
FindPeaksMD(InputWorkspace='TOPAZ_6674_MD',PeakDistanceThreshold='0.47099999999999997',MaxPeaks='100',OutputWorkspace='peaks_ws')
CentroidPeaksMD(InputWorkspace='TOPAZ_6674_MD',PeaksWorkspace='peaks_ws',OutputWorkspace='peaks_ws')
FindUBUsingFFT(PeaksWorkspace='peaks_ws',MinD='4',MaxD='12',Tolerance='0.12')
IndexPeaks(PeaksWorkspace='peaks_ws',Tolerance='0.12')
SelectCellOfType(PeaksWorkspace='peaks_ws',CellType='Rhombohedral',Centering='R')
PeakIntensityVsRadius(InputWorkspace='TOPAZ_6674_MD',PeaksWorkspace='peaks_ws',CoordinatesToUse='Q (sample frame)',RadiusEnd='0.050000000000000003',NumSteps='100',OutputWorkspace='intensity',OutputWorkspace2='numberPeaks')

comment:7 Changed 7 years ago by Vickie Lynch

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

comment:8 Changed 7 years ago by Samuel Jackson

  • Status changed from verify to verifying
  • Tester set to Samuel Jackson

comment:9 Changed 7 years ago by Samuel Jackson

  • Status changed from verifying to closed

Merge remote-tracking branch 'origin/feature/7412_PeakIntensityVsRadius'

comment:10 Changed 7 years ago by Samuel Jackson

Looks good. NumSteps throws an error when set to something illogical (e.g. -1), but will create another ticket for this as it's an easy fix and I doubt it will be noticed.

comment:11 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​8258

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