Cctbx.prime

prime: post-refinement and merging

Overview This document covers the use of post-refinement and merging program, prime, which is part of the cctbx open source software. The program reads in integration results from cctbx.xfel data-processing software suite (Hattne, J et al., 2014) that processes “still” diffraction images from X-ray free-electron laser then refines scale factors, crystal orientations, unit-cell dimensions, crystal mosaicity, and energy spectral dispersion (for SASE spectrum), and merge equivalent observations using weighted sigmas and output the merged mtz file. Running post-refinement Post-refinement program is available in command line mode:

>prime.postrefine input.phil