Ticket #8582 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

Results for ComptonScatteringCountRate have changed by more than expected in 3.0

Reported by: Martyn Gigg Owned by: Martyn Gigg
Priority: critical Milestone: Release 3.1
Component: Direct Inelastic Keywords:
Cc: Blocked By:
Blocking: Tester:

Description


Attachments

BackgroundCorrect.png (149.6 KB) - added by Martyn Gigg 7 years ago.

Change History

comment:1 Changed 7 years ago by Martyn Gigg

  • Summary changed from Results for ComptonScatteringCountRate have changed in 3.0 to Results for ComptonScatteringCountRate have changed by more than expected in 3.0

comment:2 Changed 7 years ago by Martyn Gigg

  • Status changed from new to inprogress

Flip local optimizer type in ComptonScatteringCountRate

If the background is included a more suitable optimizer that can cope with the higher objective function values is used. Refs #8582

Changeset: 5379052c337290957be384611e959138865304de

comment:3 Changed 7 years ago by Martyn Gigg

The non-background results are now using a more stable-optimizer again

Refs #8582

Changeset: 07e16617e7d782c8605547145a4f1126c44744dd

comment:4 Changed 7 years ago by Martyn Gigg

Allow limiting indices of background calculation.

Refs #8582

Changeset: 065de675a450793117e194902e37937e85e9d26e

comment:5 Changed 7 years ago by Martyn Gigg

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

branch: bugfix/8582_evs_results_no_background in systemtests & code repository

tester: Similar to #8378 (IP file is attached there) with this slightly altered script:

raw_ws = LoadVesuvio(Filename='14188-14195',OutputWorkspace='raw_ws',SpectrumList='135-142',Mode='SingleDifference',
                InstrumentParFile=r'IP0005.dat')
CropWorkspace(InputWorkspace='raw_ws',OutputWorkspace='raw_ws',XMin=50,XMax=562)

# Convert to seconds
ScaleX(InputWorkspace='raw_ws',OutputWorkspace='raw_ws',Operation='Multiply',Factor=1e-06)
function_str = \
        "composite=ComptonScatteringCountRate,NumDeriv=1,IntensityConstraints=\"Matrix(1|3)0|-1|3\";"\
        "name=GramCharlierComptonProfile,WorkspaceIndex=0,Mass=1.007940,HermiteCoeffs=1 0 1;"\
        "name=GaussianComptonProfile,WorkspaceIndex=0,Mass=27.000000;"\
        "name=GaussianComptonProfile,WorkspaceIndex=0,Mass=91.000000"

ties_str = "f1.Width=10.000000,f2.Width=25.000000"
constraints_str = "2.000000 < f0.Width < 7.000000"
  
Fit(InputWorkspace='raw_ws',Function=function_str,Ties=ties_str,Constraints=constraints_str,
        Output='fit', CreateOutput=True,OutputCompositeMembers=True,MaxIterations=5000,
        Minimizer="Levenberg-Marquardt,AbsError=1e-08,RelError=1e-08")
# Convert to microseconds
ScaleX(InputWorkspace='fit_Workspace',OutputWorkspace='fit_Workspace',Operation='Multiply',Factor=1e06)
ScaleX(InputWorkspace='raw_ws',OutputWorkspace='raw_ws',Operation='Multiply',Factor=1e06)

# Usually constructed from Fit output parameters in user scripts
mass1_str = "name=GramCharlierComptonProfile,WorkspaceIndex=0,Mass=1.007900,HermiteCoeffs=1 0 0,Width=4.226288,FSECoeff=0.498073,C_0=57.941101"
mass2_str = "name=GaussianComptonProfile,WorkspaceIndex=0,Mass=27.000000,Width=13.000000,Intensity=1.626268"
mass3_str = "name=GaussianComptonProfile,WorkspaceIndex=0,Mass=91.200000,Width=26.000000,Intensity=2.977515"
function_str = "%s;%s;%s" %(mass1_str,mass2_str,mass3_str)

background,corrected = CalculateGammaBackground(InputWorkspace='raw_ws', ComptonFunction=function_str,WorkspaceIndexList=0)

Plotting should give something like the attached picture.

Last edited 7 years ago by Martyn Gigg (previous) (diff)

Changed 7 years ago by Martyn Gigg

comment:6 Changed 7 years ago by Samuel Jackson

  • Status changed from verify to closed

Merge remote-tracking branch 'origin/bugfix/8582_evs_results_no_background'

Full changeset: 620b652dd9452d3508845d80419d7b30347ab6ed

comment:7 Changed 7 years ago by Samuel Jackson

Merge remote-tracking branch 'origin/bugfix/8582_evs_results_no_background'

Full changeset: f13dd98ba1ccdb006224b882a4c11b72c3c7010d

comment:8 Changed 7 years ago by Samuel Jackson

Ran the script and the output appeared to match closely with what was expected. Also checked that the modified system tests were passing locally.

comment:9 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 9426

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