Help Privacy Policy Disclaimer
  Advanced SearchBrowse




Journal Article

An encryption-decryption framework for validating single-particle imaging


Ayyer,  K.
Computational Nanoscale Imaging, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science;

External Resource
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)

(Publisher version), 3MB

Supplementary Material (public)

(Supplementary material), 140KB


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.

Cite as: https://hdl.handle.net/21.11116/0000-0007-0C8C-F
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.