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Add TeixeiraWaterIqt to IqtFit #37189

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robertapplin
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@robertapplin robertapplin commented Apr 19, 2024

Description of work

This PR adds the TeixeiraWaterIqt fit function to the IqtFit tab of the inelastic QENS Fitting interface. It makes sure that the q values for the fit function are updated when changing the plotted spectrum.

Fixes #36502

To test:

  1. Open Inelastic QENS Fitting interface
  2. Go to IqtFit
  3. Load the following data
  4. Select the TeixeiraWaterIqt option in Fit Type
  5. It should have three parameters
  6. Select "See full function"
  7. Check that the Q value updates whenever you change the plotted spectrum
  8. Click "Run" and wait
  9. It should successfully perform a fit

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@robertapplin robertapplin added ISIS Team: Spectroscopy Issue and pull requests managed by the Spectroscopy subteam at ISIS Indirect/Inelastic Issues and pull requests related to indirect or inelastic labels Apr 19, 2024
@robertapplin robertapplin added this to the Release 6.10 milestone Apr 19, 2024
@robertapplin robertapplin force-pushed the 36502-teixeira-water-in-iqtfit branch from 7e4623c to 7905500 Compare April 23, 2024 10:30
@robertapplin robertapplin force-pushed the 36502-teixeira-water-in-iqtfit branch from 7905500 to 214f363 Compare April 25, 2024 08:24
@robertapplin robertapplin marked this pull request as ready for review April 25, 2024 08:25
@adriazalvarez adriazalvarez self-assigned this Apr 26, 2024
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Thanks for implementing the Teixeira water on IqtFit. I have tested it and it is easy to make fix now from the tab.
But even if the fit is successful, it is not very good. I have found that compositing with a LinearBackground function improves a lot the Teixeira fitting. I think the linear background fitting function would be a good addition to the background fitting functions on this property browser (I know it can be done with the full function browser, but it would be better to have it in the simple function menu). But that can be done on a separate issue if you agree.

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I think the linear background fitting function would be a good addition to the background fitting functions on this property browser (I know it can be done with the full function browser, but it would be better to have it in the simple function menu). But that can be done on a separate issue if you agree.

Thanks for the suggestion, I think it would be good to check with Spencer, and then done as part of a separate issue if he agrees

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Thanks for addressing my comments. I'm happy to approve, it is a nice addition to IqtFit Tab.

@SilkeSchomann SilkeSchomann merged commit 08c54b8 into mantidproject:main Apr 26, 2024
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@SpencerHowells
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@robertapplin @adriazalvarez The IqtFit gui already has the Flatbackground option. You can then Tie intensities s\o that they sum to 1.

@robertapplin robertapplin deleted the 36502-teixeira-water-in-iqtfit branch April 26, 2024 12:55
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Teixeira Water for IqtFit tab
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