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

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

doi:10.1364/OE.19.016542

Research article2011Peer reviewedOpen access

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

Yoon, Chun Hong; Schwander, Peter; Abergel, Chantal; Andersson, Inger; Andreasson, Jakob; Aquila, Andrew; Bajt, Sasa; Barthelmess, Miriam; Barty, Anton; Bogan, Michael J.; Bostedt, Christoph; Bozek, John; Chapman, Henry N.; Claverie, Jean-Michel; Coppola, Nicola; DePonte, Daniel P.; Epp, Sascha W.; Erk, Benjamin; Fleckenstein, Holger; Foucar, Lutz;
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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. (C) 2011 Optical Society of America

Published in

Optics Express
2011, Volume: 19, number: 17, pages: 16542-16549
Publisher: OPTICAL SOC AMER

SLU Authors

Andersson, Inger
- Department of Molecular Biology, Swedish University of Agricultural Sciences

UKÄ Subject classification

Publication identifier

DOI: https://doi.org/10.1364/OE.19.016542

Permanent link to this page (URI)

https://res.slu.se/id/publ/42976