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  An encryption-decryption framework for validating single-particle imaging

Shen, Z., Teo, C. Z. W., Ayyer, K., & Loh, N. D. (2021). An encryption-decryption framework for validating single-particle imaging. Scientific Reports, 11: 971. doi:10.1038/s41598-020-79589-0.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0007-0C8C-F Version Permalink: https://hdl.handle.net/21.11116/0000-000B-C769-F
Genre: Journal Article

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 Creators:
Shen, Z.1, 2, Author
Teo, C. Z. W.1, 2, Author
Ayyer, K.3, 4, Author           
Loh, N. D.1, 2, 5, Author
Affiliations:
1Centre for Bio-imaging Sciences, National University of Singapore, ou_persistent22              
2Department of Physics, National University of Singapore, ou_persistent22              
3Computational Nanoscale Imaging, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society, ou_3012829              
4Center for Free-Electron Laser Science, ou_persistent22              
5Department of Biological Sciences, National University of Singapore, ou_persistent22              

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 Abstract: We propose an encryption–decryption framework for validating diffraction intensity volumes reconstructed using single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) when the ground truth volume is absent. This conceptual framework exploits each reconstructed volumes’ ability to decipher latent variables (e.g. orientations) of unseen sentinel diffraction patterns. Using this framework, we quantify novel measures of orientation disconcurrence, inconsistency, and disagreement between the decryptions by two independently reconstructed volumes. We also study how these measures can be used to define data sufficiency and its relation to spatial resolution, and the practical consequences of focusing XFEL pulses to smaller foci. This conceptual framework overcomes critical ambiguities in using Fourier Shell Correlation (FSC) as a validation measure for SPI. Finally, we show how this encryption-decryption framework naturally leads to an information-theoretic reformulation of the resolving power of XFEL-SPI, which we hope will lead to principled frameworks for experiment and instrument design.

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Language(s): eng - English
 Dates: 2020-08-282020-11-172021-01-13
 Publication Status: Published online
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 Rev. Type: Peer
 Identifiers: arXiv: 2007.03054
DOI: 10.1038/s41598-020-79589-0
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Project name : N.D.L. and Z.S. acknowledge the support of the National University of Singapore startup grant; C.Z.W.T. thanks the support of the Singapore National Research Foundation (NRF-CRP16-2015-05). The authors are grateful to Benedikt Daurer, Andrew Martin, Filipe Maia, and Tomas Ekeberg for stimulating discussions.
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Title: Scientific Reports
  Abbreviation : Sci. Rep.
Source Genre: Journal
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Publ. Info: London, UK : Nature Publishing Group
Pages: - Volume / Issue: 11 Sequence Number: 971 Start / End Page: - Identifier: ISSN: 2045-2322
CoNE: https://pure.mpg.de/cone/journals/resource/2045-2322