Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging
Artikel i vetenskaplig tidskrift, 2018

Diffraction before destruction using X-ray free-electron lasers (XFELs) has the potential to determine radiation-damage-free structures without the need for crystallization. This article presents the three-dimensional reconstruction of the Melbournevirus from single-particle X-ray diffraction patterns collected at the LINAC Coherent Light Source (LCLS) as well as reconstructions from simulated data exploring the consequences of different kinds of experimental sources of noise. The reconstruction from experimental data suffers from a strong artifact in the center of the particle. This could be reproduced with simulated data by adding experimental background to the diffraction patterns. In those simulations, the relative density of the artifact increases linearly with background strength. This suggests that the artifact originates from the Fourier transform of the relatively flat background, concentrating all power in a central feature of limited extent. We support these findings by significantly reducing the artifact through background removal before the phase-retrieval step. Large amounts of blurring in the diffraction patterns were also found to introduce diffuse artifacts, which could easily be mistaken as biologically relevant features. Other sources of noise such as sample heterogeneity and variation of pulse energy did not significantly degrade the quality of the reconstructions. Larger data volumes, made possible by the recent inauguration of high repetition-rate XFELs, allow for increased signal-to-background ratio and provide a way to minimize these artifacts. The anticipated development of three-dimensional Fourier-volume-assembly algorithms which are background aware is an alternative and complementary solution, which maximizes the use of data.

LCLS

Melbournevirus

XFELs

coherent diffractive imaging

image reconstruction

Författare

Ida V. Lundholm

Uppsala universitet

Jonas A. Sellberg

Kungliga Tekniska Högskolan (KTH)

Tomas Ekeberg

Uppsala universitet

Max F. Hantke

University of Oxford

Kenta Okamoto

Uppsala universitet

Gijs van der Schot

Uppsala universitet

Jakob Andreasson

Chalmers, Fysik, Kondenserade materiens fysik

Anton Barty

Deutsches Elektronen-Synchrotron (DESY)

Johan Bielecki

European XFEL

Uppsala universitet

Petr Bruza

Chalmers, Fysik, Kondenserade materiens fysik

Max Bucher

SLAC Natl Accelerator Lab, Linac Coherent Light Source

Argonne National Laboratory

Technische Universität Berlin

Sebastian Carron

SLAC Natl Accelerator Lab, Linac Coherent Light Source

Benedikt J. Daurer

Uppsala universitet

Ken Ferguson

SLAC Natl Accelerator Lab, 2575 Sand Hill Rd

SLAC Natl Accelerator Lab, Linac Coherent Light Source

PULSE Inst, 2575 Sand Hill Rd

Dirk Hasse

Uppsala universitet

Jacek Krzywinski

SLAC Natl Accelerator Lab, Linac Coherent Light Source

Daniel S. D. Larsson

Uppsala universitet

Andrew Morgan

Deutsches Elektronen-Synchrotron (DESY)

Kerstin Muhlig

Uppsala universitet

Maria Mueller

Technische Universität Berlin

Carl Nettelblad

Uppsala universitet

Alberto Pietrini

Uppsala universitet

Hemanth K. N. Reddy

Uppsala universitet

Daniela Rupp

Technische Universität Berlin

Mario Sauppe

Technische Universität Berlin

Marvin Seibert

Uppsala universitet

Martin Svenda

Uppsala universitet

Michelle Swiggers

SLAC Natl Accelerator Lab, Linac Coherent Light Source

Nicusor Timneanu

Uppsala universitet

Anatoli Ulmer

Technische Universität Berlin

Daniel Westphal

Uppsala universitet

Garth Williams

Brookhaven National Laboratory

SLAC Natl Accelerator Lab, Linac Coherent Light Source

Alessandro Zani

Uppsala universitet

Gyula Faigel

Magyar Tudomanyos Akademia

Henry N. Chapman

Deutsches Elektronen-Synchrotron (DESY)

Thomas Moeller

Technische Universität Berlin

Christoph Bostedt

Northwestern University

Argonne National Laboratory

SLAC Natl Accelerator Lab, 2575 Sand Hill Rd

SLAC Natl Accelerator Lab, Linac Coherent Light Source

PULSE Inst, 2575 Sand Hill Rd

Janos Hajdu

Uppsala universitet

Czech Academy of Sciences

Tais Gorkhover

Technische Universität Berlin

SLAC Natl Accelerator Lab, 2575 Sand Hill Rd

PULSE Inst, 2575 Sand Hill Rd

Filipe R. N. C. Maia

Lawrence Berkeley Natl Lab, NERSC, 1 Cyclotron Rd

Uppsala universitet

IUCrJ

2052-2525 (eISSN)

Vol. 5 531-541

Ämneskategorier

Acceleratorfysik och instrumentering

Atom- och molekylfysik och optik

Annan fysik

DOI

10.1107/S2052252518010047

PubMed

30224956

Mer information

Senast uppdaterat

2018-11-16