xia2

Developer's DescriptionBy Graeme WinterReduce X-Ray diffraction data from macromolecular crystals.xia2 is a new automated data reduction system designed to work from raw diffraction data and a little metadata, and produce usefully reduced data in a form suitable for immediately starting phasing and structure solution. It features are integration with feedback and complex lattice selection stuff, re indexing to standard setting for space group, scaling together of all data to maximize anomalous signal, and estimation of number of molecules in ASU and solvent fraction based on sequence information. The system is designed to cope with MAD data and data measured in multiple passes, or a combination of the two.