Xtriage and Fest : automatic assessment of X-ray data and substructure structure factor estimation

Xtriage A command line utility that allows the user to rapidly assess the quality and specific idiosyncrasies of an X-ray dataset has been developed. The program, called Xtriage, combines the twin analyses tools as described in a previous CCP4 newsletter (Zwart, et al., 2005) with other data quality indicators. In the following sections, the various steps in the characterization of an X-ray data set as carried out by Xtriage, are given.