Ticket #8679 (closed: fixed)

Opened 7 years ago

Last modified 5 years ago

Comton scattering fitting for backward scattering detector groups is broken for VESUVIO

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

Description

A reorganisation of the VESUVIO parameter files in #8593 has missed out two parameters for the back scattering banks:

  • hwhm_lorentz
  • sigma_gauss

Change History

comment:1 Changed 7 years ago by Martyn Gigg

Test script 

raw_ws = LoadVesuvio(Filename='14188-14195',OutputWorkspace='raw_ws',SpectrumList='3-10',Mode='SingleDifference',
                InstrumentParFile=r'IP0004_10.par')
raw_ws = SumSpectra(raw_ws)
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)

comment:2 Changed 7 years ago by Martyn Gigg

  • Status changed from new to inprogress

Fix backscatter parameters for VESUVIO

Refs #8679

Changeset: 06917b77e73516278b410ab5650a7e5722fb65e8

comment:3 Changed 7 years ago by Martyn Gigg

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

Branch: bugfix/8679_vesuvio_backscatter_params

Tester: The script above should now run to completion. The required data for the tests is on the ISIS archive in EVS cycle 09_1 & the IP file is attached to #8378.

comment:4 Changed 7 years ago by Samuel Jackson

  • Status changed from verify to verifying
  • Tester set to Samuel Jackson

comment:5 Changed 7 years ago by Samuel Jackson

  • Status changed from verifying to closed

Merge remote-tracking branch 'origin/bugfix/8679_vesuvio_backscatter_params'

Full changeset: ​83646fa4f36c0de60d30d8b56d13583fe6c9df25

comment:6 Changed 7 years ago by Samuel Jackson

Testing script now runs until completion. Code inspection shows missing parameters are indeed now present in the parameter file.

comment:7 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​9523

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