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Indirect Inelastic Changes
- EnergyWindowScan and IndirectQuickRun have been added
to perform a quick run of EnergyTransfer, Elwin and optional MSDFit
- A new algorithm NMoldyn4Interpolation which interpolates simulated data onto reference OSIRIS data
- A new algorithm Abins which allows comparison of theoretical and experimental INS.
- A ‘QuickRun’ algorithm SofQWMomentsScan that reduces data and runs through SofQW and SofQWMoments,
- performs a Lorentzian fit and from that result calculates the diffusion coefficient.
- Q-values in BASISReduction output are now point data so that their values display correctly when plotted
- 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 IndirectILLEnergyTransfer algorithm performs initial data reduction steps for IN16B instrument data at ILL.
- New IndirectILLReductionQENS algorithm performs complete multiple file reduction for Quasi-Elastic Neutron Scattering (QENS) data from IN16B instrument at ILL.
- New 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
- TeixeiraWaterSQE models translation of water-like molecules (jump diffusion).
- GetQsInQENSData Extracts or computes Q values from a MatrixWorkspace.
- Elwin and ‘QuickRun’ algorithms now uses sample environment units found in sample logs
- IsoRotDiff models isotropic rotational diffusion of a particle
tethered to the origin at a constant distance.
- Option to calculate number density from mass density
- Option to calculate number density from mass density
- Absorption geometry has been updated to use the MonteCarloAbsorption method
- Add option for normalisation by vanadium to spectroscopy mode. Divides the sample by vanadium after container subtraction.
- 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
- 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