CrystFEL: A software suite for snapshot serial crystallography

White, T, Kirian, R, Martin, A, Aquila, A, Nass, K, Barty, A and Chapman, H 2012, 'CrystFEL: A software suite for snapshot serial crystallography', Journal of Applied Crystallography, vol. 45, no. 2, pp. 335-341.


Document type: Journal Article
Collection: Journal Articles

Title CrystFEL: A software suite for snapshot serial crystallography
Author(s) White, T
Kirian, R
Martin, A
Aquila, A
Nass, K
Barty, A
Chapman, H
Year 2012
Journal name Journal of Applied Crystallography
Volume number 45
Issue number 2
Start page 335
End page 341
Total pages 7
Publisher Wiley-Blackwell
Abstract In order to address the specific needs of the emerging technique of serial femtosecond crystallography, in which structural information is obtained from small crystals illuminated by an X-ray free-electron laser, a new software suite has been created. The constituent programs deal with viewing, indexing, integrating, merging and evaluating the quality of the data, and also simulating patterns. The specific challenges addressed chiefly concern the indexing and integration of large numbers of diffraction patterns in an automated manner, and so the software is designed to be fast and to make use of multi-core hardware. Other constituent programs deal with the merging and scaling of large numbers of intensities from randomly oriented snapshot diffraction patterns. The suite uses a generalized representation of a detector to ease the use of more complicated geometries than those familiar in conventional crystallography. The suite is written in C with supporting Perl and shell scripts, and is available as source code under version 3 or later of the GNU General Public License.
Subject Condensed Matter Imaging
DOI - identifier 10.1107/S0021889812002312
Copyright notice © 2012 International Union of Crystallography
ISSN 0021-8898
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