Indirect Bayes and Data Analysis should work at any facility

[Dan Nixon]

Currently there are a few restrictions used in these workflows that mean they cannot be used unless the data comes from ISIS instruments.

This should also enable the use of S(Q,w) data in these routines.

The notable issues so far are:

• Bayes > Quasi
• Data Analysis > ConvFit
• Data Analysis > Fury

This block of code causes problems in Bayes:

if facility == 'ISIS':
  CheckAnalysers(samWS,resWS,Verbose)
  efix = getEfixed(samWS)
  theta,Q = GetThetaQ(samWS)

And GetThetaQ assumes that a workspace histogram axis is in specta number (and performs a conversion to Q, which is not needed for a SQw workspace):

def GetThetaQ(ws):
  nhist = mtd[ws].getNumberHistograms() # get no. of histograms/groups
  efixed = getEfixed(ws)
  wavelas = math.sqrt(81.787/efixed) # elastic wavelength
  k0 = 4.0*math.pi/wavelas
  theta = np.array(GetWSangles(ws))
  Q = k0 * np.sin(0.5 * np.radians(theta))
  return theta, Q

GetThetaQ should be modified so that it checks the type of axis and for a workspace with a numerical axis in elastic Q will convert the Q back to angles and for a an axis in spectra number convert to elastic Q.

[Dan Nixon]

Add code to get Q and theta for spec axis in Q

Refs #10454

Changeset: 26a974efb0e2b9d79be40a92d7652008711cd6ce

[Dan Nixon]

Allow SQw browsing for resolution

Needed for sites such as SNS who use Sqw for most interfaces

Refs #10454

Changeset: b2485cc0ad760dcae944dee22c0db20d7ea33f29

[Dan Nixon]

Fixed a couple of issues with Fury with BASIS data

This allows the resolution parameter to be either part fo the analyser component (i.e. like ISIS instruments) or part of the instrument (which would be easier to add to SNS instruments)

Refs #10454

Changeset: 7215c4aba84bf77f6c13fbc04e9760fa974cc8ab

[Dan Nixon]

Allow calc corrections with SQw

Refs #10454

Changeset: eba11307840a5b81c5b3802967c8b1bf5d6dec79

[Dan Nixon]

Merge branch 'master' into bugfix/10454_idr_bayes_functional_at_any_facility

Refs #10454

Changeset: f7e4e48e087efe9f634258c0e5379a16b7442f1a

[Dan Nixon]

ConvFit get param file from inst directory

Refs #10454

Changeset: 898b5e9e369aa31324b95145ac9c84350680c509

[Dan Nixon]

Enable Sqw browsing for Quasi

Refs #10454

Changeset: 61ea63327cda3e7e4f35e8ac7c94f9414703459c

[Dan Nixon]

Add Sqw to other Bayes tabs

Restruct to RES where needed

Refs #10454

Changeset: 2a3d96debdc9d771c9128d1cd60694c69e806ffd

[Dan Nixon]

Conflicting changes here.

[Dan Nixon]

Merge branch 'feature/10094_support_diffraction_corrections' into bugfix/10454_idr_bayes_functional_at_any_facility

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectAbsCor.py

Refs #10454

Changeset: ce80fbcba1a0149c38c2fe6e89aceefb99cbb5d4

[Dan Nixon]

Support Sqw in Calculate Corrections

Refs #10454

Changeset: 0884d71ecbbd93c4399f69cb8121906f228ed282

[Dan Nixon]

Merge branch 'master' into bugfix/10454_idr_bayes_functional_at_any_facility

Conflicts:

Code/Mantid/MantidQt/CustomInterfaces/src/ConvFit.cpp

Refs #10454

Changeset: a7b273f5fd1c8a4b6d765cfbc0b267d4ef916ca1

[Dan Nixon]

Support Sqw of Calc Corr

Refs #10454

Changeset: 0961f06e76ed52b423a8a3ed1ba2c97d04236d96

[Dan Nixon]

This must be tested on Windows with Mantid built in Release mode.

Testing files are on babylon5/Public/DanNixon/BASIS, 33207_sqw is the sample/input 33213_sqw is the can/container/vanadium, 33213_res is the resolution.

Before starting ensure your facility is set to SNS.

There is a lot to test hence I will omit loading the files and executing the tab from the instructions.

To test:

• ConvFit
  • Fit Type: Two Lorentzians
  • Increase FWHM a little and tie peak centers if the fit is bad
  • Run Should give a good fit
• Fury
  • Set sample binning to 1 (Sqw is already rebinned)
  • Run
  • You may get a warning if the number of resolution bins is less than 5
• FuryFit (optional: the fact Fury works means this must work)
  • Load what came out of Fury
  • Shift EndX to exclude the garbage at the end of the curve (this garbage is normal)
  • Shift LinearBackground.A0 such that it is close to the curve bottom
  • Run, should give a good fit
• Elwin
  • Load some files (a selection from the elastic_scan folder would be good here)
• MSD Fit (optional: the fact Elwin works means this must work)
  • Load what came out of Elwin
  • Run, a reasonable fit should be given between the ranges
  • (if you really have a lot of time try running Elwin with all of those runs, this should give a bit better MSD Fit data)
• ResNorm
  • Plot Result: Fit
  • Should give a good fit
• Quasi
  • Check Elastic Peak
  • Check Use ResNorm, select workspace created by ResNorm
  • Should give a reasonable fit when run
• Stretch
  • Enable Elastic Peak and Sequential Fit
  • Contour plots are not great, open the spectra plots for the _Sigma and _Beta workspaces and see the goodness of fit plots between y=0 and y=1

For the next tests we will have to use ISIS SQw files since SaveNexusProcessed does not save detector mapping (#10663).

• First generate some SQw workspaces from irs26173_graphite002_red and irs26176_graphite002_red
  • Indirect > Data Reduction > SQw
  • Rebin in Q: 0.6, 0.1, 1.8
  • Rebin in energy: -0.5, 0.05, 0.5

• Calculate Corrections
  • Input workspace: irs26176_graphite002_sqw
  • Can workspace: irs26173_graphite002_sqw
  • Cylinder
  • Radius 1: 0.1
  • Radius 1: 0.2
  • Can Radius: 0.25
  • Step size: 0.005
  • Beam Width: 2.1
  • Sample
    • Number density: 0.1
    • Formula: H2-O
  • Can
    • Number density: 0.1
    • Formula: V
  • Save Result enabled
• Apply Corrections
  • Input workspace: irs26176_graphite002_sqw
  • Cylinder
  • Can workspace: irs26173_graphite002_sqw
  • Use Corrections: find the file in your default save location that came from Calculate Corrections
  • Run

[Dan Nixon]

Properly support Sqw on calc/apply corrections

Refs #10454

Changeset: 6db4b71aba73b3893d7666ff7a3eac5819985aab

[Dan Nixon]

Merge branch 'master' into bugfix/10454_idr_bayes_functional_at_any_facility

Refs #10454

Full changeset: ​f7e4e48e087efe9f634258c0e5379a16b7442f1a

[Dan Nixon]

Merge branch 'feature/10094_support_diffraction_corrections' into bugfix/10454_idr_bayes_functional_at_any_facility

Conflicts:

Code/Mantid/scripts/Inelastic/IndirectAbsCor.py

Refs #10454

Full changeset: ​ce80fbcba1a0149c38c2fe6e89aceefb99cbb5d4

[Dan Nixon]

Merge branch 'master' into bugfix/10454_idr_bayes_functional_at_any_facility

Conflicts:

Code/Mantid/MantidQt/CustomInterfaces/src/ConvFit.cpp

Refs #10454

Full changeset: ​a7b273f5fd1c8a4b6d765cfbc0b267d4ef916ca1

[Lottie Greenwood]

Merge remote-tracking branch 'origin/bugfix/10454_idr_bayes_functional_at_any_facility'

Full changeset: ​bbe0313102f03f236ec28d2fbdd822b086a9f419

[Stuart Campbell]

This ticket has been transferred to github issue ​11296