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Title: Low-signal limit of X-ray single particle diffractive imaging

Abstract

An outstanding question in X-ray single particle imaging experiments has been the feasibility of imaging sub 10-nm-sized biomolecules under realistic experimental conditions where very few photons are expected to be measured in a single snapshot and instrument background may be significant relative to particle scattering. While analyses of simulated data have shown that the determination of an average image should be feasible using Bayesian methods such as the EMC algorithm, this has yet to be demonstrated using experimental data containing realistic non-isotropic instrument background, sample variability and other experimental factors. In this study, we show that the orientation and phase retrieval steps work at photon counts diluted to the signal levels one expects from smaller molecules or with weaker pulses, using data from experimental measurements of 60-nm PR772 viruses. Even when the signal is reduced to a fraction as little as 1/256, the virus electron density determined using ab initio phasing is of almost the same quality as the high-signal data. However, we are still limited by the total number of patterns collected, which may soon be mitigated by the advent of high repetition-rate sources like the European XFEL and LCLS-II.

Authors:
ORCiD logo; ; ; ; ; ; ; ; ORCiD logo;
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1579401
Alternate Identifier(s):
OSTI ID: 1604680
Grant/Contract Number:  
AC02-76SF00515; STC-1231306; ERC-2013-SyG 609920; RGP0010/2017; EXC 2056 - project ID 390715994
Resource Type:
Published Article
Journal Name:
Optics Express
Additional Journal Information:
Journal Name: Optics Express Journal Volume: 27 Journal Issue: 26; Journal ID: ISSN 1094-4087
Publisher:
Optical Society of America (OSA)
Country of Publication:
United States
Language:
English
Subject:
47 OTHER INSTRUMENTATION

Citation Formats

Ayyer, Kartik, Morgan, Andrew J., Aquila, Andrew, DeMirci, Hasan, Hogue, Brenda G., Kirian, Richard A., Xavier, P. Lourdu, Yoon, Chun Hong, Chapman, Henry N., and Barty, Anton. Low-signal limit of X-ray single particle diffractive imaging. United States: N. p., 2019. Web. doi:10.1364/OE.27.037816.
Ayyer, Kartik, Morgan, Andrew J., Aquila, Andrew, DeMirci, Hasan, Hogue, Brenda G., Kirian, Richard A., Xavier, P. Lourdu, Yoon, Chun Hong, Chapman, Henry N., & Barty, Anton. Low-signal limit of X-ray single particle diffractive imaging. United States. doi:10.1364/OE.27.037816.
Ayyer, Kartik, Morgan, Andrew J., Aquila, Andrew, DeMirci, Hasan, Hogue, Brenda G., Kirian, Richard A., Xavier, P. Lourdu, Yoon, Chun Hong, Chapman, Henry N., and Barty, Anton. Thu . "Low-signal limit of X-ray single particle diffractive imaging". United States. doi:10.1364/OE.27.037816.
@article{osti_1579401,
title = {Low-signal limit of X-ray single particle diffractive imaging},
author = {Ayyer, Kartik and Morgan, Andrew J. and Aquila, Andrew and DeMirci, Hasan and Hogue, Brenda G. and Kirian, Richard A. and Xavier, P. Lourdu and Yoon, Chun Hong and Chapman, Henry N. and Barty, Anton},
abstractNote = {An outstanding question in X-ray single particle imaging experiments has been the feasibility of imaging sub 10-nm-sized biomolecules under realistic experimental conditions where very few photons are expected to be measured in a single snapshot and instrument background may be significant relative to particle scattering. While analyses of simulated data have shown that the determination of an average image should be feasible using Bayesian methods such as the EMC algorithm, this has yet to be demonstrated using experimental data containing realistic non-isotropic instrument background, sample variability and other experimental factors. In this study, we show that the orientation and phase retrieval steps work at photon counts diluted to the signal levels one expects from smaller molecules or with weaker pulses, using data from experimental measurements of 60-nm PR772 viruses. Even when the signal is reduced to a fraction as little as 1/256, the virus electron density determined using ab initio phasing is of almost the same quality as the high-signal data. However, we are still limited by the total number of patterns collected, which may soon be mitigated by the advent of high repetition-rate sources like the European XFEL and LCLS-II.},
doi = {10.1364/OE.27.037816},
journal = {Optics Express},
number = 26,
volume = 27,
place = {United States},
year = {2019},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1364/OE.27.037816

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Cited by: 4 works
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    Works referencing / citing this record:

    Low-signal limit of X-ray single particle diffractive imaging
    text, January 2019

    • Ayyer, Kartik; Morgan, Andrew J.; Aquila, Andrew
    • Deutsches Elektronen-Synchrotron, DESY, Hamburg
    • DOI: 10.3204/pubdb-2019-05177