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Optics Express

Optics Express

  • Editor: Andrew M. Weiner
  • Vol. 22, Iss. 3 — Feb. 10, 2014
  • pp: 2497–2510

Automated identification and classification of single particle serial femtosecond X-ray diffraction data

Jakob Andreasson, Andrew V. Martin, Meng Liang, Nicusor Timneanu, Andrew Aquila, Fenglin Wang, Bianca Iwan, Martin Svenda, Tomas Ekeberg, Max Hantke, Johan Bielecki, Daniel Rolles, Artem Rudenko, Lutz Foucar, Robert Hartmann, Benjamin Erk, Benedikt Rudek, Henry N. Chapman, Janos Hajdu, and Anton Barty  »View Author Affiliations


Optics Express, Vol. 22, Issue 3, pp. 2497-2510 (2014)
http://dx.doi.org/10.1364/OE.22.002497


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Abstract

The first hard X-ray laser, the Linac Coherent Light Source (LCLS), produces 120 shots per second. Particles injected into the X-ray beam are hit randomly and in unknown orientations by the extremely intense X-ray pulses, where the femtosecond-duration X-ray pulses diffract from the sample before the particle structure is significantly changed even though the sample is ultimately destroyed by the deposited X-ray energy. Single particle X-ray diffraction experiments generate data at the FEL repetition rate, resulting in more than 400,000 detector readouts in an hour, the data stream during an experiment contains blank frames mixed with hits on single particles, clusters and contaminants. The diffraction signal is generally weak and it is superimposed on a low but continually fluctuating background signal, originating from photon noise in the beam line and electronic noise from the detector. Meanwhile, explosion of the sample creates fragments with a characteristic signature. Here, we describe methods based on rapid image analysis combined with ion Time-of-Flight (ToF) spectroscopy of the fragments to achieve an efficient, automated and unsupervised sorting of diffraction data. The studies described here form a basis for the development of real-time frame rejection methods, e.g. for the European XFEL, which is expected to produce 100 million pulses per hour.

© 2014 Optical Society of America

OCIS Codes
(140.7240) Lasers and laser optics : UV, EUV, and X-ray lasers
(170.1650) Medical optics and biotechnology : Coherence imaging
(300.6350) Spectroscopy : Spectroscopy, ionization

ToC Category:
X-ray Optics

History
Original Manuscript: November 11, 2013
Revised Manuscript: December 23, 2013
Manuscript Accepted: January 7, 2014
Published: January 29, 2014

Citation
Jakob Andreasson, Andrew V. Martin, Meng Liang, Nicusor Timneanu, Andrew Aquila, Fenglin Wang, Bianca Iwan, Martin Svenda, Tomas Ekeberg, Max Hantke, Johan Bielecki, Daniel Rolles, Artem Rudenko, Lutz Foucar, Robert Hartmann, Benjamin Erk, Benedikt Rudek, Henry N. Chapman, Janos Hajdu, and Anton Barty, "Automated identification and classification of single particle serial femtosecond X-ray diffraction data," Opt. Express 22, 2497-2510 (2014)
http://www.opticsinfobase.org/oe/abstract.cfm?URI=oe-22-3-2497


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