========================== Indirect Inelastic Changes ========================== .. contents:: Table of Contents :local: 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). .. figure:: ../../images/Indirect_ConvFit_3_12_release.png :class: screenshot :align: right :figwidth: 50% 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 :ref:`algm-ApplyPaalmanPingsCorrection`). - Calculate Monte Carlo Absorption interface has been restructured in a more appropriate format, as outlined in the following image: .. figure:: ../../images/AbsorbtionCorrectionsGui312.png :align: right :class: screenshot :figwidth: 50% - 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 ### - :ref:`algm-ExtractQENSMembers` can be used to extract the fit members from any QENS fit. - New algorithm :ref:`BASISDiffraction ` to determine the orientation of crystal samples for the BASIS beamline. Improved ######## - :ref:`algm-ApplyPaalmanPingsCorrection` now accepts a corrections group containing only an :math:`A_{s,s}` and an :math:`A_{c,c}` workspace (produced by :ref:`algm-CalculateMonteCarloAbsorption`). - :ref:`BASISReduction ` now permits the user to exclude a contiguous time segment from the reduction process. - :ref:`BASISReduction ` option *noMonitorNorm* changed to *MonitorNorm*. - :ref:`BASISReduction ` now contains log entry *asString* storing the options passed to to the algorithm. - :ref:`IqtFitSequential ` and :ref:`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 :ref:`LoadVesuvio ` algorithm by supplying *LoadLogFiles=False* to the algorithm call - :ref:`OSIRISDiffractionReduction ` no longer has options *DetectDRange* and *DRange*, D-Ranges are now always calculated automatically within the algorithm. :ref:`Release 3.12.0 `