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Condor: a simulation tool for flash X-ray imaging
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Molecular biophysics.
2016 (English)In: Journal of Applied Crystallography, Vol. 49, no 4, 1356-1362 p.Article in journal (Refereed) PublishedText
Abstract [en]

Flash X-ray imaging has the potential to determine structures down to molecular resolution without the need for crystallization. The ability to accurately predict the diffraction signal and to identify the optimal experimental configuration within the limits of the instrument is important for successful data collection. This article introduces Condor, an open-source simulation tool to predict X-ray far-field scattering amplitudes of isolated particles for customized experimental designs and samples, which the user defines by an atomic or a refractive index model. The software enables researchers to test whether their envisaged imaging experiment is feasible, and to optimize critical parameters for reaching the best possible result. It also aims to support researchers who intend to create or advance reconstruction algorithms by simulating realistic test data. Condor is designed to be easy to use and can be either installed as a Python package or used from its web interface (http://lmb.icm.uu.se/condor). X-ray free-electron lasers have high running costs and beam time at these facilities is precious. Data quality can be substantially improved by using simulations to guide the experimental design and simplify data analysis.

Place, publisher, year, edition, pages
2016. Vol. 49, no 4, 1356-1362 p.
Keyword [en]
femtosecond coherent diffractive imaging, X-ray free-electron lasers, simulation, single-particle imaging, computer programs
National Category
Biophysics
Identifiers
URN: urn:nbn:se:uu:diva-300211DOI: 10.1107/S1600576716009213OAI: oai:DiVA.org:uu-300211DiVA: diva2:951111
Available from: 2016-08-05 Created: 2016-08-05 Last updated: 2016-08-05

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Publisher's full texthttp://dx.doi.org/10.1107/S1600576716009213
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