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On single crystal total scattering data reduction and correction protocols for analysis in direct space

On single crystal total scattering data reduction and correction protocols for analysis in direct space

We explore data reduction and correction steps and processed data reproducibility in the emerging single crystal total scattering based technique of three-dimensional differential atomic pair distribution function (3D-$\Delta$PDF) analysis. All steps from sample measurement to data-processing are outlined in detail using a CuIr$_2$S$_4$ example crystal studied in a setup equipped …