CRYSTALSversion 12: software for guided crystal structure analysis

The determination of small-molecule structures from single-crystal-ray data is being carried out by researchers with little or no crys- training. At the same time, completely automatic crystal analysis can still only be achieved under very favourable. Many of the problems that cause automatic systems to fail be resolved with suitable chemical insight, and until this is built-, programs continue to need human guidance. CRYSTALS version12 contains a modern crystallographic human-interface design, and strategies incorporating chemical knowledge and sensible guidance into crystal structure analysis software.