4.6 Article

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

Journal

OPTICS EXPRESS
Volume 19, Issue 17, Pages 16542-16549

Publisher

OPTICAL SOC AMER
DOI: 10.1364/OE.19.016542

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Funding

  1. U.S. Department of Energy Office of Science [DE-SC0002164]
  2. PULSE Institute at the SLAC National Accelerator Laboratory
  3. Max Planck Society
  4. Swedish Research Councils
  5. Stiftelsen Olle Engkvist Byggmastare
  6. Swedish University of Agricultural Sciences
  7. Helmholtz Association [VH-VI-302]
  8. DFG Cluster of Excellence at the Munich Centre for Advanced Photonics
  9. Centre National de la Recherche Scientifique
  10. Agence Nationale de la Recherche [ANR-BLAN08-0089]
  11. U.S. Department of Energy (DOE) [DE-SC0002164] Funding Source: U.S. Department of Energy (DOE)

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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. (C) 2011 Optical Society of America

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