computer programs
A major revision of the Mathematica X-ray Diffraction Package (MaXrd) has been undertaken, where developments have focused upon construction of crystal structure models, in particular host–guest systems, and subsequent simulations of reciprocal space through the external programs DISCUS and DIFFUSE (ZMC).
Supporting information
Text file https://doi.org/10.1107/S160057672001328X/jl5006sup1.txt |