Ticket #5996 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

Force ConvertToMD generating the same axis names as ConvertToDifractionWorkspace for LabFrame and Sample frame cases

Reported by: Alex Buts Owned by: Alex Buts
Priority: trivial Milestone: Release 2.3
Component: VATES Keywords:
Cc: MikkelsonD@… Blocked By:
Blocking: Tester: Dennis Mikkelson

Description

This is trivial task, as some other algorithm apparently depend on axis names generated by ConvertToMD

Change History

comment:1 Changed 8 years ago by Alex Buts

  • Status changed from new to accepted

comment:2 Changed 8 years ago by Alex Buts

refs #5996 Changed base names to ConvertToDiffraction convention.

Changeset: 8ae13528e545deb73059f787b3168a580fd9149b

comment:3 Changed 8 years ago by Alex Buts

refs #5996 This should do it

in the case of lab frame or sample frame the axis generated by ConvertToMD should be the same as the ConvertToDiffractionMD algorithm

(not that it should be correct as such algorithms should work with dimID rather then with axis names) But this is the easiest fix.

Changeset: 6ae93db1a50b0b2c4422a5eaa4abd33f7dfc5d81

comment:4 Changed 8 years ago by Alex Buts

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

comment:5 Changed 8 years ago by Dennis Mikkelson

  • Status changed from verify to verifying
  • Tester set to Dennis Mikkelson

comment:6 Changed 8 years ago by Dennis Mikkelson

NOTE: ConvertToDiffractionMDWorkspace provides three options for the output dimensions: Q(lab frame), Q(sample frame) and HKL. As currently modified, ConvertToMD seems to only implement Q(sample frame) for the Elastic case. The advantage to Q(lab frame) is that the goniometer settings are NOT accounted for, so errors in the goniometer angles will not corrupt the data. The advantage to Q(sample frame) is that in this case the goniometer rotation angles will be accounted for, so that peaks found from multiple runs at different goniometer settings can be combined and indexed together in a consistent manner. I "think" that the HKL option may be used in the slice viewer.

Overall, the issue of what units should be supported by ConvertToMD, and to what extent later steps in the processing can rely on particular units on an MD workspace needs further work. I would suggest this ticket be reopened and moved to the next release.

Dennis

comment:7 Changed 8 years ago by Dennis Mikkelson

  • Status changed from verifying to closed

Comments in ticket 5881 explain how ConvertToMD selects between the various options in ConvertToDiffractionMDWorkspace. Specifically:

UB set => HKL

No UB, but goniometer rotation present and not Identity => Sample coordinates

No UB, but goniometer == Identity or not present => Lab coordinates.

This should work well in all cases except perhaps if the goniometer rotation is present but incorrect.

comment:8 Changed 8 years ago by Alex Buts

refs #5996 Changed base names to ConvertToDiffraction convention.

Changeset: 8ae13528e545deb73059f787b3168a580fd9149b

comment:9 Changed 8 years ago by Alex Buts

refs #5996 This should do it

in the case of lab frame or sample frame the axis generated by ConvertToMD should be the same as the ConvertToDiffractionMD algorithm

(not that it should be correct as such algorithms should work with dimID rather then with axis names) But this is the easiest fix.

Changeset: 6ae93db1a50b0b2c4422a5eaa4abd33f7dfc5d81

comment:10 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 6842

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