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Indirect Inelastic Changes

Vesuvio

New

  • Cumulative Angle-Averaged Data (sum of fits normalised by their integral) can be calculated and produced as output by setting the calculate_caad flag to True.

Improved

  • A pre-loaded runs workspace can now be passed to the fit_tof VESUVIO routine, which will skip the loading subroutine, given this input.

  • Loading the sample log files into a workspace can be disabled within a Vesuvio Driver Script, by setting the load_log_files flag to False.

Bugfixes

  • Previously, running a script which only applied a single correction (e.g. container subtraction), would produce an error f0.Scaling, this has now been fixed.

Data Analysis Interfaces

New

  • ConvFit, IqtFit, MSDFit and JumpFit now have a second mini-plot for the difference. The sample and calculated fit are found in the top mini-plot, the difference is found in the bottom mini-plot.

  • The function browser in each of the Fitting tabs (ConvFit, IqtFit, MSDFit, JumpFit) has been replaced with a new IndirectFitPropertyBrowser widget (which can be separated and embedded into the fit interfaces).

../../_images/Indirect_ConvFit_3_12_release.png

The new design of the Indirect Fitting tabs, shown here within ConvFit (the IndirectFitPropertyBrowser is seen on the left and can be ejected into a separate window).

  • The IndirectFitPropertyBrowser widget provides the following additional functionality to the Indirect Fit Interfaces (MSDFit, IqtFit, ConvFit, JumpFit):

    • Ties can now be used to tie parameters between all functions and custom ties (involving mathematical expressions) are now available.

    • It is now possible to add constraints to parameters.

    • Any additional functions can be added from the library of available MANTID functions by right-clicking on Functions in the browser and selecting Add Function.

    • Function setups can now be saved and re-loaded (Custom Setups) from the Setup menu.

    • Functions can be copied and loaded from the clipboard.

    • Right-clicking on any function in the browser and selecting Help will open a window containing the documentation for that function.

    • The guess can be plot in a separate window from the interface (automatically updates as the fit model is changed), accessible through the Display menu.

Improved

  • The Plot Guess Feature in the ConvFit Interface is now enabled for the diffusion functions.

  • The Plot Guess Feature in the MSDFit Interface is now implemented for the three models introduced in release v3.11 (MsdGauss, MsdPeters and MsdYi).

  • The ExtractMembers option in the ConvFit Interface will now function correctly for diffusion functions.

  • The ExtractMembers option is now available in the IqtFit interface.

  • The parameter ties created by the Constrain Intensities option in the IqtFit interface, are now shown in the function browser.

  • ‘Plot Current Preview’ plots input if a fit has yet to be calculated and is disabled if no input workspace has been provided.

Bugfixes

  • The X-Limits for all of the Indirect Data Analysis interfaces are now correctly updated when data is loaded.

  • In the IqtFit interface, the AO parameter now defaults to 0.

  • The mini preview plot now updates correctly in the Indirect Data Analysis interfaces, when the fit function is changed; when changed to a function that wasn’t used in the most recent fit, will plot only the sample, else will plot the sample, fit and difference.

  • Plotting individual parameters of the fit in the interface (Plot Options), will no longer produce an error in the ConvFit interface, when plotting FWHM.

  • Entering bad values for ELow/EHigh on the Iqt interface no longer produces an unhandled exception error.

Diffraction

Improved

  • Manual D-Range option removed from the indirect diffraction reduction interface; D-Ranges are now automatically calculated for sample, container and vanadium runs.

Corrections Interfaces

Improved

  • The Apply Paalman Pings interface has been renamed to Apply Absorption Correction.

  • The Apply Absorption Correction interface no longer requires workspaces to be in units of wavelength (this is done within ApplyPaalmanPingsCorrection v1).

  • Calculate Monte Carlo Absorption interface has been restructured in a more appropriate format, as outlined in the following image:

../../_images/AbsorbtionCorrectionsGui312.png

  • Result plotting in the Calculate Monte Carlo Absorption interface is now the same as that in Apply Absorption Correction; ability to select whether to plot result in Wavelength, Angle or Both.

Bugfixes

  • In the Calculate Paalman Pings tab of the Indirect Correction interface the container back thickness is now set correctly.

  • Fixed an issue where the Plot Current Preview option in the Container Subtraction and Apply Paalman Pings interfaces would not plot the transformed container or result.

  • Fixed the inconsistent naming styles of the Calculate Paalman Pings and Calculate Monte Carlo Absorption interfaces.

Abins

Improved

  • Performance of Abins rebinning routines significantly improved (a factor of 10-20 times for data size of 4000).

Algorithms

New

Improved

  • ApplyPaalmanPingsCorrection v1 now accepts a corrections group containing only an \(A_{s,s}\) and an \(A_{c,c}\) workspace (produced by CalculateMonteCarloAbsorption v1).

  • BASISReduction now permits the user to exclude a contiguous time segment from the reduction process.

  • BASISReduction option noMonitorNorm changed to MonitorNorm.

  • BASISReduction now contains log entry asString storing the options passed to to the algorithm.

  • IqtFitSequential and IqtFitMultiple can now both extract members from the fit (when the ExtractMembers property is set to True).

  • Loading the sample log files into a workspace can be disabled when calling the LoadVesuvio algorithm by supplying LoadLogFiles=False to the algorithm call

  • OSIRISDiffractionReduction no longer has options DetectDRange and DRange, D-Ranges are now always calculated automatically within the algorithm.

Release 3.12.0