Ticket #5585 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

Improve IndexPeaks for peaks workspaces with peaks from several runs

Reported by: Dennis Mikkelson Owned by: Dennis Mikkelson
Priority: major Milestone: Release 2.2
Component: Mantid Keywords:
Cc: petersonpf@…, lynchve@…, mikkelsonr@…, pascal.manuel@…, nick.draper@… Blocked By:
Blocking: Tester: Vickie Lynch

Description

When a peaks workspace has peaks from several different runs, one UB will typically not index all of the peaks that really should be indexed. This is most likely due to small errors in the goniometer position information. Once a UB is obtained that indexes the peaks from all runs to some extent, that UB should be optimized for each individual run in the peaks workspace, and the optimized UB should be used to actually index the peaks in that run. This will typically assign "correct" indices to more peaks in a consistent manner across all of the runs in the workspace.

Change History

comment:1 Changed 8 years ago by Dennis Mikkelson

Re 5585, IndexPeaks now indexes using per run optimzied UB

When indexing peaks in a peaks workspace, the UB matrix now is optimized for the list of peaks from each run, before actually using it to index the peaks in that run. This will increase the number of peaks indexed, in particular when the peaks workspace contains peaks from multiple runs. refs #5585

Changeset: 7aa3e9ca02f1fe4f99f7300dc5c9ec7c1ffc4536

comment:2 Changed 8 years ago by Dennis Mikkelson

  • Status changed from new to accepted

comment:3 Changed 8 years ago by Dennis Mikkelson

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

comment:4 Changed 8 years ago by Dennis Mikkelson

Re 5585, IndexPeaks now indexes using per run optimzied UB

When indexing peaks in a peaks workspace, the UB matrix now is optimized for the list of peaks from each run, before actually using it to index the peaks in that run. This will increase the number of peaks indexed, in particular when the peaks workspace contains peaks from multiple runs. refs #5585

Changeset: 7aa3e9ca02f1fe4f99f7300dc5c9ec7c1ffc4536

comment:5 Changed 8 years ago by Vickie Lynch

  • Status changed from verify to verifying
  • Tester set to Vickie Lynch

comment:6 Changed 8 years ago by Vickie Lynch

  • Status changed from verifying to closed

Tried IndexPeaks for Sapphire (TOPAZ_3680-2865) peaks file. Each run was indexed separately and 582 Peaks out of 601 were indexed with a tolerance of 0.15.

comment:7 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 6431

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