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Opt Express. 2011 Aug 15;19(17):16542-9. doi: 10.1364/OE.19.016542.

Unsupervised classification of single-particle X-ray diffraction snapshots by spectral clustering.

Author information

1
Department of Physics, University of Wisconsin-Milwaukee, 1900 East Kenwood Blvd, Milwaukee, Wisconsin 53211, USA.

Abstract

Single-particle experiments using X-ray Free Electron Lasers produce more than 10(5) snapshots per hour, consisting of an admixture of blank shots (no particle intercepted), and exposures of one or more particles. Experimental data sets also often contain unintentional contamination with different species. We present an unsupervised method able to sort experimental snapshots without recourse to templates, specific noise models, or user-directed learning. The results show 90% agreement with manual classification.

PMID:
21935018
DOI:
10.1364/OE.19.016542

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