Indirect Inelastic Changes¶

Algorithms¶

• 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.

Data Reduction¶

• 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

Data Analysis¶

• 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.

Corrections¶

Tools¶

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 LoadVesuvio and VesuvioDiffractionReduction
• Position of monitors has been updated