Ticket #6581 (closed: fixed)

Opened 8 years ago

Last modified 5 years ago

Fullprof resolution file generated from Mantid does not work

Reported by: Wenduo Zhou Owned by: Wenduo Zhou
Priority: critical Milestone: Release 2.5
Component: Mantid Keywords:
Cc: petersonpf@… Blocked By:
Blocking: Tester: Russell Taylor

Description

It is reported by POWGEN instrument scientist that Fullprof resolution file (.irf) generated from Mantid with calibrated instrument profile parameters caused error. The error message is "NO REFLECTION FOUND".

Attachments

bank3test.irf​ (1.1 KB) - added by Wenduo Zhou 8 years ago.
LaB6_bank3test.pcr​ (4.5 KB) - added by Wenduo Zhou 8 years ago.
PG3_11487-3.dat​ (276.9 KB) - added by Wenduo Zhou 8 years ago.
test.py​ (430 bytes) - added by Wenduo Zhou 8 years ago.
LaB6_bank1M.hkl​ (383 bytes) - added by Wenduo Zhou 8 years ago.

Change History

comment:1 Changed 8 years ago by Wenduo Zhou

  • Status changed from new to accepted

comment:2 Changed 8 years ago by Wenduo Zhou

Fixed an error in reading/write tof min/max. Refs #6581.

The read and write of TOF min and max are not paired. The .irf file reader is in CreateLeBailFitInput. The .irf fiel writer is in SaveFullprofResolution.

The precision of the parameters' values are corrected in SaveFullprofResolution()

Changeset: c684bfa8d2ff5d6ccca60e56ff94360d5791eafb

comment:3 Changed 8 years ago by Wenduo Zhou

It is a mistake to commit a trivial change of CalibrateRectangularDetectors.py under this ticket.

comment:4 Changed 8 years ago by Wenduo Zhou

Enhance LeBailFit. Refs #6581.

  1. Skip the pattern calculation in MC if there is no parameter in that group to refine;
  2. Add calculation and output of Rwp in Calculatio mode
  3. Clear a bug at Monote Carlo step setup Changeset: 75de089c1b996a89b0613d73661298c71de05864

comment:5 Changed 8 years ago by Wenduo Zhou

Enhance RefinePowderInstrumentParameters. Refs #6581.

  1. Add ChiSquare to output property
  2. Fix an issue to write chi-square to output table workspace. Changeset: 5e6bda80c4b3b3e696c8a9d9a67f93d742999ffc

comment:6 Changed 8 years ago by Wenduo Zhou

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

Test Instruction

  1. Download all the files attached;
  2. Launch MantidPlot;
  3. Run algorithm in the attached test.py;
  4. Run SaveFullprofResolution() on the InstrumentTable workspace;
  5. In terminal, run the following command. There shouldn't be any error.
    • fp2k LaB6_bank3test.pcr
Last edited 8 years ago by Wenduo Zhou (previous) (diff)

comment:7 Changed 8 years ago by Russell Taylor

  • Status changed from verify to verifying
  • Tester set to Russell Taylor

comment:8 Changed 8 years ago by Russell Taylor

Waiting for Wenduo to provide instructions on how to test (promised sometime next week)

Changed 8 years ago by Wenduo Zhou

Changed 8 years ago by Wenduo Zhou

Changed 8 years ago by Wenduo Zhou

Changed 8 years ago by Wenduo Zhou

Changed 8 years ago by Wenduo Zhou

comment:9 Changed 8 years ago by Russell Taylor

I still see exactly the same error on RHEL6

comment:10 Changed 8 years ago by Russell Taylor

  • Status changed from verifying to closed

It works on Windows & RHEL6 (with fullprof v5.30) but not on RHEL6 with the version from the SNS repo (5.0). The version of Fullprof in the SNS repo should to be updated. Since the problem is not with the Mantid code, I'll close this ticket.

comment:11 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​7427

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