forthcoming articles

3D X-ray Standing Waves (XSW) is a new method for characterization of the 3D atomic profiles of planar periodic nano-structures, like nm-sized gratings or pillar arrays. Here we demonstrate the laboratory 3D XSW analysis of TiN gratings with nm-sized pitches.

We have developed a comprehensive database that comprises protein dimeric structures and their respective interactions. This database provides valuable insights into the medium of interaction, including water, small molecules, and direct interactions. The information contained in this database can be particularly useful for researchers and professionals alike who are working in the field of protein studies.

Since 2004, the University of South Bohemia has been establishing a tradition in protein crystallography through practical crystallization courses organized under the auspices of the Federation of Biochemical Societies.

Takagi–Taupin dynamical X-ray diffraction simulations of cylindrically bent Laue crystals show that, in specific diffraction geometries, the focusing behaviour of bent Laue crystals is significantly influenced by dynamical effects, causing the foci of different energies to deviate from the predictions of the `magic condition' derived from geometric optics theory.

This paper proposes a ptychographic phase retrieval algorithm combined with a deep neural network (DNN). The proposed method allows the measurement model to be explicitly incorporated into the DNN-based approach, improving imaging capability and robustness to changes in experimental conditions.

This research uses contrast-matching SANS to investigate adsorption behaviour of deuterated methane in silica aerogel in the pressure range from 0 to 1 kbar. The results reveal a classical reversible two-phase adsorption in the 2.5–50 nm pore size region and no evidence of condensation in the sub-nanometre pores.

A SAXS-based modelling of various detergents around MhsT correlates a variation in the shape of the detergent corona with the detergent tail length.

The effect of specimen displacement for different experimental geometries has been investigated. The new results allow the accurate analysis of data collected with large displacements.

AutoRefl is an active learning algorithm for neutron reflectometry measurements that maximizes the information acquisition rate in specific model parameters, thereby improving measurement speeds. Its forecasting capability is particularly useful for integration with data acquisition systems without loss of data quality.

Annealing-induced structural transformations in titanium–chromium oxide crystals potentially highlight a role in modulating thermal conductivity through the regularization of crystallographic shear plane spacing.

A method is showcased whereby the pair distribution function of thin films can be measured with laboratory X-ray tubes down to 80 nm thickness. These findings clear the path for the possibility of utilizing standard modern diffraction equipment to determine thin film pair distribution functions.

Reconstruction methods for coherent diffractive imaging of single particles with ultrashort X-ray pulses were tested with various amounts of background noise, investigating the effect on resolution.

A new in situ facility (Flow-Xl) for the characterization of crystallization systems in flow using combined in situ X-ray diffraction and Raman spectroscopy is presented here. This article highlights commissioning and calibration experiments on case-study systems that stress the utility of the instrument for extracting reproducible qualitative and quantitative phase information during crystallization processes.

An illustration is given of the use of the CSD Python API in the community with some example cases.

This article provides a demonstration of tools for operando pair distribution function analysis of nanocrystalline functional materials. The particular case used is 3 nm TiO₂-bronze nanocrystals as active electrode material in a Li-ion battery.

This article presents an investigation into the feasibility of X-ray powder diffraction of macromolecules with laser-driven X-ray sources, which may enable in-house sub-picosecond time-resolved structural studies of macromolecules.

This paper presents the new RMCProfile7 program for reverse Monte Carlo big-box modelling of multiple phase systems.