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TakeTwo: An indexing algorithm suited to still images with known crystal parameters

  • Author(s): Ginn, HM
  • Roedig, P
  • Kuo, A
  • Evans, G
  • Sauter, NK
  • Ernst, O
  • Meents, A
  • Mueller-Werkmeister, H
  • Miller, RJD
  • Stuart, DI
  • et al.
Abstract

© Ginn et al. 2016. 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.

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