========================== Indirect Inelastic Changes ========================== .. contents:: Table of Contents :local: New features ------------ Algorithms ########## - :ref:`EnergyWindowScan ` and :ref:`IndirectQuickRun ` have been added to perform a quick run of *EnergyTransfer*, *Elwin* and optional *MSDFit* - A new algorithm :ref:`NMoldyn4Interpolation ` which interpolates simulated data onto reference OSIRIS data - A new algorithm :ref:`Abins ` which allows comparison of theoretical and experimental INS. - A 'QuickRun' algorithm :ref:`SofQWMomentsScan ` that reduces data and runs through :ref:`SofQW ` and :ref:`SofQWMoments `, performs a Lorentzian fit and from that result calculates the diffusion coefficient. Data Reduction ############## - Q-values in :ref:`BASISReduction ` output are now point data so that their values display correctly when plotted - :ref:`LoadILLIndirect-v2 ` now checks in the ``.nxs`` files which single detectors (SD) are enabled, and loads only those instead of all, while moving them to the correct angle read from the file. - New :ref:`IndirectILLEnergyTransfer ` algorithm performs initial data reduction steps for IN16B instrument data at ILL. - New :ref:`IndirectILLReductionQENS ` algorithm performs complete multiple file reduction for Quasi-Elastic Neutron Scattering (QENS) data from IN16B instrument at ILL. - New :ref:`IndirectILLReductionFWS ` algorithm performs complete multiple file reduction for the elastic and inelastic fixed-window scan data from IN16B instrument at ILL. - Deprecated `IndirectILLReduction `_ and `ILLIN16BCalibration `_ algorithms. - When plotting *ConvFit* results "Two Lorentzians" will produce plots for both lorentzians Data Analysis ############# - :ref:`TeixeiraWaterSQE ` models translation of water-like molecules (jump diffusion). - :ref:`GetQsInQENSData ` Extracts or computes Q values from a MatrixWorkspace. - *Elwin* and 'QuickRun' algorithms now uses sample environment units found in sample logs - :ref:`IsoRotDiff ` models isotropic rotational diffusion of a particle tethered to the origin at a constant distance. Corrections ########### CalculatePaalmanPings ~~~~~~~~~~~~~~~~~~~~~ - Option to calculate number density from mass density Absorption ~~~~~~~~~~ - Option to calculate number density from mass density - Absorption geometry has been updated to use the :ref:`MonteCarloAbsorption ` method Tools ##### Transmission ~~~~~~~~~~~~ - Option to calculate number density from mass density Diffraction ########### - Add option for normalisation by vanadium to spectroscopy mode. Divides the sample by vanadium after container subtraction. Vesuvio ####### - Run numbers can now be input as a range in :ref:`LoadVesuvio ` and :ref:`VesuvioDiffractionReduction ` - Position of monitors has been updated Improvements ------------ - Data saved in an ASCII format using the *EnergyTransfer* interface can be re-loaded into Mantid - TOSCA instrument definition file has been updated - When plotting from interfaces the plots now display error bars as standard - *I(Q, t)Fit* now uses the ExpDecay and StretchedExp functions already in Mantid Bugfixes -------- - Clicking 'Save' without creating a res file in *ISISCalibration* no longer causes an error - Fixed issue when trying to plot multiple spectra from Indirect interfaces - The plot options for *I(Q,t)Fit* had 'beta' displayed twice and the options did not plot the respective parameter - *Jumpfit* creates a HWHM workspace in order to avoid the original workspace data being halved whenever loaded `Full list of changes on GitHub `_