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Indirect Inelastic Changes¶

New features ¶

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.

Add option for normalisation by vanadium to spectroscopy mode. Divides the sample by vanadium after container subtraction.

Run numbers can now be input as a range in LoadVesuvio and VesuvioDiffractionReduction
Position of monitors has been updated

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