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J Appl Crystallogr. 2016 Mar 29;49(Pt 2):680-689. eCollection 2016 Apr 1.

Recent developments in CrystFEL.

Author information

1
Centre for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, 22607 Hamburg, Germany.
2
Department of Biology, Universität Konstanz, Box 647, 78457 Konstanz, Germany.
3
Moscow Institute of Physics and Technology, 141700 Moscow, Russian Federation.
4
Department of Biological Sciences, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan.
5
Centre for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, 22607 Hamburg, Germany; Department of Physics, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany.
6
RIKEN SPring-8 Center, Sayo, 679-5148, Japan.
7
Centre for Free-Electron Laser Science, Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, 22607 Hamburg, Germany; Department of Physics, University of Hamburg, Luruper Chaussee 149, 22761 Hamburg, Germany; Centre for Ultrafast Imaging, Luruper Chaussee 149, 22761 Hamburg, Germany.

Abstract

CrystFEL is a suite of programs for processing data from 'serial crystallography' experiments, which are usually performed using X-ray free-electron lasers (FELs) but also increasingly with other X-ray sources. The CrystFEL software suite has been under development since 2009, just before the first hard FEL experiments were performed, and has been significantly updated and improved since then. This article describes the most important improvements which have been made to CrystFEL since the first release version. These changes include the addition of new programs to the suite, the ability to resolve 'indexing ambiguities' and several ways to improve the quality of the integrated data by more accurately modelling the underlying diffraction physics.

KEYWORDS:

X-ray free-electron lasers; XFELs; computer programs; data processing; serial crystallography

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