Dragonfly: an implementation of the expand–maximize–compress algorithm for single-particle imaging

Kartik Ayyer, Ti-Yen Lan, Veit Elser, N. Duane Loh
2016 Journal of Applied Crystallography  
Single-particle imaging (SPI) with X-ray free-electron lasers has the potential to change fundamentally how biomacromolecules are imaged. The structure would be derived from millions of diffraction patterns, each from a different copy of the macromolecule before it is torn apart by radiation damage. The challenges posed by the resultant data stream are staggering: millions of incomplete, noisy and un-oriented patterns have to be computationally assembled into a three-dimensional intensity map
more » ... d then phase reconstructed. In this paper, theDragonflysoftware package is described, based on a parallel implementation of the expand–maximize–compress reconstruction algorithm that is well suited for this task. Auxiliary modules to simulate SPI data streams are also included to assess the feasibility of proposed SPI experiments at the Linac Coherent Light Source, Stanford, California, USA.
doi:10.1107/s1600576716008165 pmid:27504078 pmcid:PMC4970497 fatcat:epzyqju5g5dgrf6sfx7d4ip3my