DAJUST: a suite of computer programs for pattern matching, space-group determination and intensity extraction from powder diffraction data

The interactive powder diffraction program DAJUST for whole-pattern matching, space-group determination and extraction of integrated intensities is described. The resulting intensity data files are compatible with the XLENS (Patterson function direct methods) and TALP (direct-space multisolution methods) programs of the authors' laboratory (ICMAB, CSIC).

TALP: a multisolution direct-space strategy for solving molecular crystals from powder diffraction data based on restrained least squares

The new direct-space strategy TALP for ab initio crystal structure determination, consisting of a sophisticated search algorithm coupled to fast restrained least-squares refinements, is described and tested on laboratory X-ray powder diffraction data of 14 molecular compounds.