Journal
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 45, Issue -, Pages 335-341Publisher
WILEY-BLACKWELL
DOI: 10.1107/S0021889812002312
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Funding
- Div Of Molecular and Cellular Bioscience
- Direct For Biological Sciences [1021557] Funding Source: National Science Foundation
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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.
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