title: Unsupervised classification of single-particle X-ray diffraction snapshots by spectral clustering.
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.
authors.affiliation: Department of Physics, University of Wisconsin-Milwaukee, 1900 East Kenwood Blvd, Milwaukee, Wisconsin 53211, USA.
authors.forename: Chun Hong
authors.initials: CH
authors.lastname: Yoon
authors.forename: Peter
authors.initials: P
authors.lastname: Schwander
authors.forename: Chantal
authors.initials: C
authors.lastname: Abergel
authors.forename: Inger
authors.initials: I
authors.lastname: Andersson
authors.forename: Jakob
authors.initials: J
authors.lastname: Andreasson
authors.forename: Andrew
authors.initials: A
authors.lastname: Aquila
authors.forename: Saša
authors.initials: S
authors.lastname: Bajt
authors.forename: Miriam
authors.initials: M
authors.lastname: Barthelmess
authors.forename: Anton
authors.initials: A
authors.lastname: Barty
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Bogan
authors.forename: Christoph
authors.initials: C
authors.lastname: Bostedt
authors.forename: John
authors.initials: J
authors.lastname: Bozek
authors.forename: Henry N
authors.initials: HN
authors.lastname: Chapman
authors.forename: Jean-Michel
authors.initials: JM
authors.lastname: Claverie
authors.forename: Nicola
authors.initials: N
authors.lastname: Coppola
authors.forename: Daniel P
authors.initials: DP
authors.lastname: DePonte
authors.forename: Tomas
authors.initials: T
authors.lastname: Ekeberg
authors.forename: Sascha W
authors.initials: SW
authors.lastname: Epp
authors.forename: Benjamin
authors.initials: B
authors.lastname: Erk
authors.forename: Holger
authors.initials: H
authors.lastname: Fleckenstein
authors.forename: Lutz
authors.initials: L
authors.lastname: Foucar
authors.forename: Heinz
authors.initials: H
authors.lastname: Graafsma
authors.forename: Lars
authors.initials: L
authors.lastname: Gumprecht
authors.forename: Janos
authors.initials: J
authors.lastname: Hajdu
authors.forename: Christina Y
authors.initials: CY
authors.lastname: Hampton
authors.forename: Andreas
authors.initials: A
authors.lastname: Hartmann
authors.forename: Elisabeth
authors.initials: E
authors.lastname: Hartmann
authors.forename: Robert
authors.initials: R
authors.lastname: Hartmann
authors.forename: Gunter
authors.initials: G
authors.lastname: Hauser
authors.forename: Helmut
authors.initials: H
authors.lastname: Hirsemann
authors.forename: Peter
authors.initials: P
authors.lastname: Holl
authors.forename: Stephan
authors.initials: S
authors.lastname: Kassemeyer
authors.forename: Nils
authors.initials: N
authors.lastname: Kimmel
authors.forename: Maya
authors.initials: M
authors.lastname: Kiskinova
authors.forename: Mengning
authors.initials: M
authors.lastname: Liang
authors.forename: Ne-Te Duane
authors.initials: NT
authors.lastname: Loh
authors.forename: Lukas
authors.initials: L
authors.lastname: Lomb
authors.forename: Filipe R N C
authors.initials: FR
authors.lastname: Maia
authors.forename: Andrew V
authors.initials: AV
authors.lastname: Martin
authors.forename: Karol
authors.initials: K
authors.lastname: Nass
authors.forename: Emanuele
authors.initials: E
authors.lastname: Pedersoli
authors.forename: Christian
authors.initials: C
authors.lastname: Reich
authors.forename: Daniel
authors.initials: D
authors.lastname: Rolles
authors.forename: Benedikt
authors.initials: B
authors.lastname: Rudek
authors.forename: Artem
authors.initials: A
authors.lastname: Rudenko
authors.forename: Ilme
authors.initials: I
authors.lastname: Schlichting
authors.forename: Joachim
authors.initials: J
authors.lastname: Schulz
authors.forename: Marvin
authors.initials: M
authors.lastname: Seibert
authors.forename: Virginie
authors.initials: V
authors.lastname: Seltzer
authors.forename: Robert L
authors.initials: RL
authors.lastname: Shoeman
authors.forename: Raymond G
authors.initials: RG
authors.lastname: Sierra
authors.forename: Heike
authors.initials: H
authors.lastname: Soltau
authors.forename: Dmitri
authors.initials: D
authors.lastname: Starodub
authors.forename: Jan
authors.initials: J
authors.lastname: Steinbrener
authors.forename: Gunter
authors.initials: G
authors.lastname: Stier
authors.forename: Lothar
authors.initials: L
authors.lastname: Strüder
authors.forename: Martin
authors.initials: M
authors.lastname: Svenda
authors.forename: Joachim
authors.initials: J
authors.lastname: Ullrich
authors.forename: Georg
authors.initials: G
authors.lastname: Weidenspointner
authors.forename: Thomas A
authors.initials: TA
authors.lastname: White
authors.forename: Cornelia
authors.initials: C
authors.lastname: Wunderer
authors.forename: Abbas
authors.initials: A
authors.lastname: Ourmazd