Unsupervised classification of single-particle X-ray diffraction snapshots by spectral clustering
Yoon, C. H. Corresponding author; Schwander, P.; Abergel, C.; Andersson, I.; Andreasson, J.; Aquila, A.; Bajt, S.; Barthelmess, M.; Barty, A.; Bogan, Michael; Bostedt, C.; Bozek, J.; Chapman, H. N.; Claverie, J.-M.; Coppola, N.; DePonte, Daniel; Ekeberg, T.; Epp, Sascha; Erk, B.; Fleckenstein, H.; Foucar, L.; Graafsma, H.; Gumprecht, L.; Hajdu, J.; Hampton, C. Y.; Hartmann, A.; Hartmann, E.; Hartmann, R.; Hauser, G.; Hirsemann, H.; Holl, P.; Kassemeyer, S.; Kimmel, N.; Kiskinova, M.; Liang, M.; Loh, N.-T. D.; Lomb, L.; Maia, Filipe; Martin, A. V.; Nass, K.; Pedersoli, E.; Reich, C.; Rolles, D.; Rudek, B.; Rudenko, A.; Schlichting, I.; Schulz, Joachim; Seibert, M.; Seltzer, V.; Shoeman, R. L.; Sierra, R. G.; Soltau, H.; Starodub, D.; Steinbrener, J.; Stier, G.; Strüder, L.; Svenda, M.; Ullrich, J.; Weidenspointner, G.; White, T. A.; Wunderer, C.; Ourmazd, A.
2011

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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.

Details

Title Unsupervised classification of single-particle X-ray diffraction snapshots by spectral clustering
Author Yoon, C. H. Corresponding author
Schwander, P.
Abergel, C.
Andersson, I.
Andreasson, J.
Aquila, A.
Bajt, S.
Barthelmess, M.
Barty, A.
Bogan, Michael
Bostedt, C.
Bozek, J.
Chapman, H. N.
Claverie, J.-M.
Coppola, N.
DePonte, Daniel
Ekeberg, T.
Epp, Sascha
Erk, B.
Fleckenstein, H.
Foucar, L.
Graafsma, H.
Gumprecht, L.
Hajdu, J.
Hampton, C. Y.
Hartmann, A.
Hartmann, E.
Hartmann, R.
Hauser, G.
Hirsemann, H.
Holl, P.
Kassemeyer, S.
Kimmel, N.
Kiskinova, M.
Liang, M.
Loh, N.-T. D.
Lomb, L.
Maia, Filipe
Martin, A. V.
Nass, K.
Pedersoli, E.
Reich, C.
Rolles, D.
Rudek, B.
Rudenko, A.
Schlichting, I.
Schulz, Joachim
Seibert, M.
Seltzer, V.
Shoeman, R. L.
Sierra, R. G.
Soltau, H.
Starodub, D.
Steinbrener, J.
Stier, G.
Strüder, L.
Svenda, M.
Ullrich, J.
Weidenspointner, G.
White, T. A.
Wunderer, C.
Ourmazd, A.
Affiliation EuXFEL staff
Author Group Detector Development
Sample Environment
Advanced Electronics
Imprint Washington, DC, The Optical Society, 2011
Date 2011
Publication Information
Opt. Express, 19, 16542-16549 (2011)
ISSN 1094-4087
Related external records View record in PubMed
WOS: WOS:000293894900092
DOI: https://doi.org/10.1364/OE.19.016542
Related proposal number POF II
Content Type Articles
Language English
Funding Information Experiments at CFEL (POF2-544)
Record Appears in Groups > Detectors and data acquisition > Electronic & Electrical Engineering
Groups > Scientific instruments and equipment > Sample Environment
Groups > Detectors and data acquisition > Detector Development
Types > Articles
Years > 2011
Advanced Electronics (AE)

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