How good are my data?
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Published on
Abstract
Nick Sauter (LBNL)
A design goal of the data reduction package cctbx.xfel is to discover and apply the numerous systematic corrections necessary to correctly model XFEL diffraction images. Numerous challenges must be addressed to interpret serial femtosecond diffraction, including an inaccurate knowledge of the detector's micron-scale metrology, diffraction patterns with multiple lattices and different resolution cutoffs, and the difficulties in modeling crystal orientation from still shots. The ultimate endpoint is to be able to obtain the most accurate structure factors possible by scaling and merging a limited number of images.
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