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Optics Express

Optics Express

  • Editor: C. Martijn de Sterke
  • Vol. 19, Iss. 17 — Aug. 15, 2011
  • pp: 16542–16549

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

Chun Hong Yoon, Peter Schwander, Chantal Abergel, Inger Andersson, Jakob Andreasson, Andrew Aquila, Saša Bajt, Miriam Barthelmess, Anton Barty, Michael J. Bogan, Christoph Bostedt, John Bozek, Henry N. Chapman, Jean-Michel Claverie, Nicola Coppola, Daniel P. DePonte, Tomas Ekeberg, Sascha W. Epp, Benjamin Erk, Holger Fleckenstein, Lutz Foucar, Heinz Graafsma, Lars Gumprecht, Janos Hajdu, Christina Y. Hampton, Andreas Hartmann, Elisabeth Hartmann, Robert Hartmann, Gunter Hauser, Helmut Hirsemann, Peter Holl, Stephan Kassemeyer, Nils Kimmel, Maya Kiskinova, Mengning Liang, Ne-Te Duane Loh, Lukas Lomb, Filipe R. N. C. Maia, Andrew V. Martin, Karol Nass, Emanuele Pedersoli, Christian Reich, Daniel Rolles, Benedikt Rudek, Artem Rudenko, Ilme Schlichting, Joachim Schulz, Marvin Seibert, Virginie Seltzer, Robert L. Shoeman, Raymond G. Sierra, Heike Soltau, Dmitri Starodub, Jan Steinbrener, Gunter Stier, Lothar Strüder, Martin Svenda, Joachim Ullrich, Georg Weidenspointner, Thomas A. White, Cornelia Wunderer, and Abbas Ourmazd  »View Author Affiliations


Optics Express, Vol. 19, Issue 17, pp. 16542-16549 (2011)
http://dx.doi.org/10.1364/OE.19.016542


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Abstract

Single-particle experiments using X-ray Free Electron Lasers produce more than 105 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.

© 2011 OSA

OCIS Codes
(110.7440) Imaging systems : X-ray imaging
(290.5840) Scattering : Scattering, molecules
(320.7100) Ultrafast optics : Ultrafast measurements

ToC Category:
X-ray Optics

History
Original Manuscript: June 2, 2011
Revised Manuscript: August 5, 2011
Manuscript Accepted: August 6, 2011
Published: August 12, 2011

Citation
Chun Hong Yoon, Peter Schwander, Chantal Abergel, Inger Andersson, Jakob Andreasson, Andrew Aquila, Saša Bajt, Miriam Barthelmess, Anton Barty, Michael J. Bogan, Christoph Bostedt, John Bozek, Henry N. Chapman, Jean-Michel Claverie, Nicola Coppola, Daniel P. DePonte, Tomas Ekeberg, Sascha W. Epp, Benjamin Erk, Holger Fleckenstein, Lutz Foucar, Heinz Graafsma, Lars Gumprecht, Janos Hajdu, Christina Y. Hampton, Andreas Hartmann, Elisabeth Hartmann, Robert Hartmann, Gunter Hauser, Helmut Hirsemann, Peter Holl, Stephan Kassemeyer, Nils Kimmel, Maya Kiskinova, Mengning Liang, Ne-Te Duane Loh, Lukas Lomb, Filipe R. N. C. Maia, Andrew V. Martin, Karol Nass, Emanuele Pedersoli, Christian Reich, Daniel Rolles, Benedikt Rudek, Artem Rudenko, Ilme Schlichting, Joachim Schulz, Marvin Seibert, Virginie Seltzer, Robert L. Shoeman, Raymond G. Sierra, Heike Soltau, Dmitri Starodub, Jan Steinbrener, Gunter Stier, Lothar Strüder, Martin Svenda, Joachim Ullrich, Georg Weidenspointner, Thomas A. White, Cornelia Wunderer, and Abbas Ourmazd, "Unsupervised classification of single-particle X-ray diffraction snapshots by spectral clustering," Opt. Express 19, 16542-16549 (2011)
http://www.opticsinfobase.org/oe/abstract.cfm?URI=oe-19-17-16542


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