Ticket #3149 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

LoadGSS does not round trip

Reported by: Peter Peterson Owned by: Wenduo Zhou
Priority: major Milestone: Iteration 29
Component: Mantid Keywords:
Cc: zhouw@… Blocked By:
Blocking: Tester: Michael Reuter

Description

Running SNSPowderDiffraction on PG3_3390 generates a gsas file that, when loaded, does not give the original data back. One major problem is that the baseline is not the same. I am suspicious that it is because the loaded data is not dividing by the bin width. Also, the x-values do not line up, the reason for this is unclear.

Additionally it would be useful if the algorithm logged (information channel) whether it detected the file to be in SLOG or RALF format and if the file filter declared file extensions to aid in browsing.

Attachments

GSS_Issue.png​ (50.1 KB) - added by Michael Reuter 9 years ago.
GSS y value issue

Change History

comment:1 Changed 9 years ago by Peter Peterson 

SNSPowderReduction(Instrument="PG3", RunNumber=3390, CalibrationFile="/SNS/PG3/2011_2_11A_CAL/PG3_FERNS_2656_2011_03_20.cal", 
CharacterizationRunsFile="/SNS/PG3/2011_2_11A_CAL/PG3_characterization_2011_04_29.txt", 
UnwrapRef=62, LowResRef=15000, Binning=.0004, BinInDspace=True, FilterBadPulses=True, SaveAs="gsas", OutputDirectory="/tmp/")

comment:2 Changed 9 years ago by Wenduo Zhou

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

(In [12482]) Corrected LoadGSS() for SLOG format. Fixes #3149.

comment:3 Changed 9 years ago by Michael Reuter

  • Status changed from verify to verifying
  • Tester set to Michael Reuter

Changed 9 years ago by Michael Reuter

GSS y value issue

comment:4 Changed 9 years ago by Michael Reuter

  • Status changed from verifying to reopened
  • Resolution fixed deleted

The roundtripping seems to work almost perfectly. However, the y values for the data don't seem to line up with original data. The attached plot shows this issue. The black line shows the orignal data and the red line is the loaded GSS from the original data. There seems to be an alternating over/under pattern in the y values for the loaded data.

comment:5 Changed 9 years ago by Wenduo Zhou

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

(In [12870]) Re do the formula to calcualte X0 from SLOG information. Fixes #3149

comment:6 Changed 9 years ago by Michael Reuter

  • Status changed from verify to verifying

comment:7 Changed 9 years ago by Michael Reuter

  • Status changed from verifying to closed

The roundtrip now works correctly.

comment:8 Changed 9 years ago by Wenduo Zhou

  • Status changed from closed to reopened
  • Cc zhouw@… added
  • Resolution fixed deleted

LoadGSS does not round trip on RALF format.

comment:9 Changed 9 years ago by Wenduo Zhou

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

(In [12873]) Fix an error to LoadGSS in RALF format. Fixes #3149.

comment:10 Changed 9 years ago by Michael Reuter

  • Status changed from verify to verifying

comment:11 Changed 9 years ago by Michael Reuter

  • Status changed from verifying to closed

That one looks good too.

comment:12 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​3996

Note: See TracTickets for help on using tickets.