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

Cornell Affiliated Author(s)

Author

K. Ayyer
T.-Y. Lan
V. Elser
N.D. Loh

Abstract

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 and then phase reconstructed. In this paper, the Dragonfly software 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.A description is given of a single-particle X-ray imaging reconstruction and simulation package using the expand-maximize-compress algorithm, named Dragonfly. © Kartik Ayyer et al. 2016.

Date Published

Journal

Journal of Applied Crystallography

Volume

49

Issue

4

Number of Pages

1320-1335,

URL

https://www.scopus.com/inward/record.uri?eid=2-s2.0-84980587171&doi=10.1107%2fS1600576716008165&partnerID=40&md5=867fa369a4812cf17a410132fa3f8329

DOI

10.1107/S1600576716008165

Group (Lab)

Veit Elser Group

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