title: Sorting algorithms for single-particle imaging experiments at X-ray free-electron lasers.
abstract: Modern X-ray free-electron lasers (XFELs) operating at high repetition rates produce a tremendous amount of data. It is a great challenge to classify this information and reduce the initial data set to a manageable size for further analysis. Here an approach for classification of diffraction patterns measured in prototypical diffract-and-destroy single-particle imaging experiments at XFELs is presented. It is proposed that the data are classified on the basis of a set of parameters that take into account the underlying diffraction physics and specific relations between the real-space structure of a particle and its reciprocal-space intensity distribution. The approach is demonstrated by applying principal component analysis and support vector machine algorithms to the simulated and measured X-ray data sets.
authors.affiliation: National Research Centre `Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russia.
authors.forename: S A
authors.initials: SA
authors.lastname: Bobkov
authors.affiliation: National Research Centre `Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russia.
authors.forename: A B
authors.initials: AB
authors.lastname: Teslyuk
authors.affiliation: European XFEL GmbH, Albert-Einstein-Ring 19, D-22761 Hamburg, Germany.
authors.forename: R P
authors.initials: RP
authors.lastname: Kurta
authors.affiliation: National Research Centre `Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russia.
authors.forename: O Yu
authors.initials: OY
authors.lastname: Gorobtsov
authors.affiliation: Center for Free-Electron Laser Science, Notkestrasse 85, D-22607 Hamburg, Germany.
authors.forename: O M
authors.initials: OM
authors.lastname: Yefanov
authors.affiliation: National Research Centre `Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russia.
authors.forename: V A
authors.initials: VA
authors.lastname: Ilyin
authors.affiliation: National Research Centre `Kurchatov Institute', Akademika Kurchatova pl. 1, 123182 Moscow, Russia.
authors.forename: R A
authors.initials: RA
authors.lastname: Senin
authors.affiliation: Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22607 Hamburg, Germany.
authors.forename: I A
authors.initials: IA
authors.lastname: Vartanyants
keywords: coherent diffraction imaging; principal component analysis; support vector machine