Neutron diffraction studies of hydrogen/deuterium‐exchanged hen egg‐white lysozyme were performed by a joint X‐ray and neutron refinement to elucidate the hydrogen/deuterium exchange behavior. Large crystals for neutron work, consisting of molecules that were exchanged before crystallization, were obtained by repeatedly adding protein solution to the crystal batch using deuterated precipitant reagent

Serial crystallography data can be challenging to index, as each frame is processed individually, rather than being processed as a whole like in conventional X‐ray single‐crystal crystallography. An algorithm has been developed to index still diffraction patterns arising from small‐unit‐cell samples. The algorithm is based on the matching of reciprocal‐lattice vector pairs, as developed for Laue microdiffraction

A family of stochastic models of disordered particles is proposed, obtained by clipping a Gaussian random field with a function that is space dependent. Depending on the shape of the clipping function, dense or hollow particles can be modelled. General expressions are derived for the form factor of the particles, for their average volume and surface area, and for their density and surface‐area distributions

A framework is applied to quantify information gain from neutron or X‐ray reflectometry experiments [Treece, Kienzle, Hoogerheide, Majkrzak, Lösche & Heinrich (2019). J. Appl. Cryst. 52, 47–59], in an in‐depth investigation into the design of scattering contrast in biological and soft‐matter surface architectures. To focus the experimental design on regions of interest, the marginalization of the information

A method is presented for the measurement of the phase gradient of a wavefront by tracking the relative motion of speckles in projection holograms as a sample is scanned across the wavefront. By removing the need to obtain an undistorted reference image of the sample, this method is suitable for the metrology of highly divergent wavefields. Such wavefields allow for large magnification factors that

Book review.

Dynamical X‐ray diffraction simulations from crystals with surface undulations are reported. The Takagi–Taupin equations are applied and used to derive results in good agreement with experimental data reported in a separate paper [Macrander, Pereira, Huang, Kasman, Qian, Wojcik & Assoufid (2020). J. Appl. Cryst.53, https://doi.org/10.1107/S1600576720005166]. The development of Uragami [J. Phys. Soc

The results are reported of an X‐ray diffraction study of an Si crystal designed and fabricated for very asymmetric diffraction from the 333 reflection for X‐ray energies of 8.100 and 8.200 keV. A crystal with an asymmetry angle of 46 ± 0.1° between the surface and the (111) planes was studied. The grazing angles of incidence were near 1.08 and 0.33° for these two energies, respectively. Features arising

In the present work, a method for adjusting a crystal analyzer to separate two characteristic lines from the spectrum of a conventional X‐ray tube for simultaneous registration of tomographic projections is proposed. The experimental implementation of this method using radiation of a molybdenum anode (Kα1, Kβ lines) and a silicon Si(111) crystal analyzer in Laue geometry is presented. Projection images

Different studies in X-ray microscopy have arrived at conflicting conclusions about the dose efficiency of imaging modes involving the recording of intensity distributions in the near (Fresnel regime) or far (Fraunhofer regime) field downstream of a specimen. A numerical study is presented on the dose efficiency of near-field holography, near-field ptychography and far-field ptychography, where ptychography

This work describes the application of X‐ray ptychography for the inspection of complex assemblies of highly anisotropic nanocrystals embedded in a thick polymer matrix. More specifically, this case deals with CdSe/CdS octapods, with pod length L = 39 ± 2 nm and pod diameter D = 12 ± 2 nm, dispersed in free‐standing thick films (24 ± 4 µm) of polymethyl methacrylate and polystyrene, with different

This article presents measurements of the piezoelectric modulus d11 of a single crystal of lanthanum gallium silicate (LGS, La3Ga5SiO14). The piezoelectric modulus was measured by X‐ray diffraction at angles close to backscattering. Experiments in such schemes are very sensitive to relative changes in the lattice constant in crystals caused by external influences (constant or alternating electric field

Exploiting small-angle X-ray and neutron scattering (SAXS/SANS) on the same sample volume at the same time provides complementary nanoscale structural information in two different contrast situations. Unlike an independent experimental approach, the truly combined SAXS/SANS experimental approach ensures the exactness of the probed samples, particularly for in situ studies. Here, an advanced portable

A fast and exact algorithm to calculate the powder pair distribution function (PDF) for the case of periodic structures is presented. The new algorithm calculates the PDF by a detour via reciprocal space. The calculated normalized total powder diffraction pattern is transferred into the PDF via the sine Fourier transform. The calculation of the PDF via the powder pattern avoids the conventional simplification

sasPDF, a method for characterizing the structure of nanoparticle assemblies (NPAs), is presented. The method is an extension of the atomic pair distribution function (PDF) analysis to the small‐angle scattering (SAS) regime. The PDFgetS3 software package for computing the PDF from SAS data is also presented. An application of the sasPDF method to characterize structures of representative NPA samples

SVAT4 is a computer program for interactive visualization of three‐dimensional crystal structures, including chemical bonds and magnetic moments. A wide range of functions, e.g. revealing atomic layers and polyhedral clusters, are available for further structural analysis. Atomic sizes, colors, appearance, view directions and view modes (orthographic or perspective views) are adjustable. Customized

A rational way to find the appropriate conditions to grow crystal samples for bio-crystallography is to determine the crystallization phase diagram, which allows precise control of the parameters affecting the crystal growth process. First, the nucleation is induced at supersaturated conditions close to the solubility boundary between the nucleation and metastable regions. Then, crystal growth is further