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TakeTwo : an indexing algorithm suited to still images with known crystal parameters
Author(s) -
Ginn Helen Mary,
Roedig Philip,
Kuo Anling,
Evans Gwyndaf,
Sauter Nicholas K.,
Ernst Oliver,
Meents Alke,
Mueller-Werkmeister Henrike,
Miller R. J. Dwayne,
Stuart David Ian
Publication year - 2016
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798316010706
Subject(s) - search engine indexing , orthorhombic crystal system , space (punctuation) , curvature , image (mathematics) , synchrotron , algorithm , computer science , crystallography , diffraction , mathematics , optics , physics , artificial intelligence , geometry , chemistry , operating system
The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X‐ray beam, providing significant three‐dimensional information. On the other hand, shots from both X‐ray free‐electron lasers and serial synchrotron crystallography experiments are still images, in which the few three‐dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit‐cell dimensions and space group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image.