A major revision of the MathematicaX‐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 spa...
A major revision of the MathematicaX‐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).
Added functionality makes MaXrd more versatile with the ability to visualize crystal structures and domains. New tools make the construction of custom structures possible, particularly inclusion compounds, as well as the acquisition of simulated maps of reciprocal space.