3D atomic structure from a single X-ray free electron laser pulse.

X-ray Free Electron Lasers (XFEL) are cutting-edge pulsed x-ray sources, whose extraordinary pulse parameters promise to unlock unique applications. Several new methods have been developed at XFELs; however, no methods are known, which allow ab initio atomic level structure determination using only a single XFEL pulse. Here, we present experimental results, demonstrating the determination of the 3D atomic structure from data obtained during a single 25 fs XFEL pulse.

Fast inside-source X-ray fluorescent holography.

Atomic resolution X-ray holography can be realized by using the atoms of the sample as inside sources or inside detectors. However, until now there were only very few experiments in which the atoms played the role of inside sources. The reason is twofold: (i) technically, inside-detector experiments are much easier and faster; (ii) by using atoms as inside detectors one can measure holograms at many energies on the same sample, which helps the reconstruction.

Considerations for three-dimensional image reconstruction from experimental data in coherent diffractive imaging.

Diffraction before destruction using X-ray free-electron lasers (XFELs) has the potential to determine radiation-damage-free structures without the need for crystallization. This article presents the three-dimensional reconstruction of the Melbournevirus from single-particle X-ray diffraction patterns collected at the LINAC Coherent Light Source (LCLS) as well as reconstructions from simulated data exploring the consequences of different kinds of experimental sources of noise. The reconstruction from experimental data suffers from a strong artifact in the center of the particle.

Experimental phase determination of the structure factor from Kossel line profile.

Kossel lines are formed when radiation from point x-ray sources inside a single crystal are diffracted by the crystal itself. In principle, Kossel line patterns contain full information on the crystalline structure: phase and magnitude of the structure factors. The phase is coded into the profile of the lines.

Measurement of synchrotron-radiation-excited Kossel patterns.

Kossel line patterns contain information on the crystalline structure, such as the magnitude and the phase of Bragg reflections. For technical reasons, most of these patterns are obtained using electron beam excitation, which leads to surface sensitivity that limits the spatial extent of the structural information. To obtain the atomic structure in bulk volumes, X-rays should be used as the excitation radiation.