Classifying and assembling twodimensional Xray laser diffraction patterns of a single particle to reconstruct the threedimensional diffraction intensity function: resolution limit due to the quantum noise
Abstract
A new algorithm is developed for reconstructing the highresolution threedimensional diffraction intensity function of a globular biological macromolecule from many quantumnoiselimited twodimensional Xray laser diffraction patterns, each for an unknown orientation. The structural resolution is expressed as a function of the incident Xray intensity and quantities characterizing the target molecule. A new twostep algorithm is developed for reconstructing the threedimensional diffraction intensity of a globular biological macromolecule from many experimentally measured quantumnoiselimited twodimensional Xray laser diffraction patterns, each for an unknown orientation. The first step is classification of the twodimensional patterns into groups according to the similarity of direction of the incident Xrays with respect to the molecule and an averaging within each group to reduce the noise. The second step is detection of common intersecting circles between the signalenhanced twodimensional patterns to identify their mutual location in the threedimensional wavenumber space. The newly developed algorithm enables one to detect a signal for classification in noisy experimental photoncount data with as low as ∼0.1 photons per effective pixel. The wavenumber of such a limiting pixel determines the attainable structural resolution. From this fact, the resolution limit due to the quantum noise attainable by this new method of analysis as wellmore »
 Authors:

 Riken Harima Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795148 (Japan)
 Quantum Beam Science Directorate, Japan Atomic Energy Agency, 817 Umemidai, Kidugawashi, Kyoto, 6190215 (Japan)
 Publication Date:
 OSTI Identifier:
 22347672
 Resource Type:
 Journal Article
 Journal Name:
 Acta Crystallographica. Section A, Foundations of Crystallography
 Additional Journal Information:
 Journal Volume: 68; Journal Issue: Pt 3; Other Information: PMCID: PMC3329770; PMID: 22514069; PUBLISHERID: cc5011; OAI: oai:pubmedcentral.nih.gov:3329770; Copyright (c) Atsushi Tokuhisa et al. 2012; This is an openaccess article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 01087673
 Country of Publication:
 Denmark
 Language:
 English
 Subject:
 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ALGORITHMS; DIFFRACTION; MOLECULES; NOISE; ORIENTATION; PHOTONS; RESOLUTION; SIGNALS; XRAY LASERS
Citation Formats
Tokuhisa, Atsushi, Taka, Junichiro, Kono, Hidetoshi, Go, Nobuhiro, XFEL Division, Japan Synchrotron Radiation Research Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795198, and Riken Harima Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795148. Classifying and assembling twodimensional Xray laser diffraction patterns of a single particle to reconstruct the threedimensional diffraction intensity function: resolution limit due to the quantum noise. Denmark: N. p., 2012.
Web. doi:10.1107/S010876731200493X.
Tokuhisa, Atsushi, Taka, Junichiro, Kono, Hidetoshi, Go, Nobuhiro, XFEL Division, Japan Synchrotron Radiation Research Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795198, & Riken Harima Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795148. Classifying and assembling twodimensional Xray laser diffraction patterns of a single particle to reconstruct the threedimensional diffraction intensity function: resolution limit due to the quantum noise. Denmark. doi:10.1107/S010876731200493X.
Tokuhisa, Atsushi, Taka, Junichiro, Kono, Hidetoshi, Go, Nobuhiro, XFEL Division, Japan Synchrotron Radiation Research Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795198, and Riken Harima Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795148. Tue .
"Classifying and assembling twodimensional Xray laser diffraction patterns of a single particle to reconstruct the threedimensional diffraction intensity function: resolution limit due to the quantum noise". Denmark. doi:10.1107/S010876731200493X.
@article{osti_22347672,
title = {Classifying and assembling twodimensional Xray laser diffraction patterns of a single particle to reconstruct the threedimensional diffraction intensity function: resolution limit due to the quantum noise},
author = {Tokuhisa, Atsushi and Taka, Junichiro and Kono, Hidetoshi and Go, Nobuhiro and XFEL Division, Japan Synchrotron Radiation Research Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795198 and Riken Harima Institute, 111 Kouto, Sayocho, Sayogun, Hyogo, 6795148},
abstractNote = {A new algorithm is developed for reconstructing the highresolution threedimensional diffraction intensity function of a globular biological macromolecule from many quantumnoiselimited twodimensional Xray laser diffraction patterns, each for an unknown orientation. The structural resolution is expressed as a function of the incident Xray intensity and quantities characterizing the target molecule. A new twostep algorithm is developed for reconstructing the threedimensional diffraction intensity of a globular biological macromolecule from many experimentally measured quantumnoiselimited twodimensional Xray laser diffraction patterns, each for an unknown orientation. The first step is classification of the twodimensional patterns into groups according to the similarity of direction of the incident Xrays with respect to the molecule and an averaging within each group to reduce the noise. The second step is detection of common intersecting circles between the signalenhanced twodimensional patterns to identify their mutual location in the threedimensional wavenumber space. The newly developed algorithm enables one to detect a signal for classification in noisy experimental photoncount data with as low as ∼0.1 photons per effective pixel. The wavenumber of such a limiting pixel determines the attainable structural resolution. From this fact, the resolution limit due to the quantum noise attainable by this new method of analysis as well as two important experimental parameters, the number of twodimensional patterns to be measured (the load for the detector) and the number of pairs of twodimensional patterns to be analysed (the load for the computer), are derived as a function of the incident Xray intensity and quantities characterizing the target molecule.},
doi = {10.1107/S010876731200493X},
journal = {Acta Crystallographica. Section A, Foundations of Crystallography},
issn = {01087673},
number = Pt 3,
volume = 68,
place = {Denmark},
year = {2012},
month = {5}
}