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
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-ΔPDF) analysis are explored. All steps from sample measurement to data processing are outlined using a crystal of CuIr2S4 as an example, studied in a setup equipped with …