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November 2023 issue
Cover illustration: Small-angle scattering tensor tomography can be used to reconstruct the orientation of nanostructure. In this issue, Nielsen et al. [Acta Cryst. (2023), A79, 515–526] introduce a new reconstruction algorithm and compare it with existing methods using simulations and experimental data. The cover image shows a simulated field of reciprocal-space maps (top left), the main orientation per voxel from the model (top right) and its reconstruction (bottom right), and a volume render of the error between them (bottom left).
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Molecular replacement as implemented in Phaser was applied to structure analysis of small-molecule single-crystal X-ray and electron diffraction data.
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The development of small-angle scattering tensor tomography has enabled the study of anisotropic nanostructures in a volume-resolved manner. The paper presents a method tested against both simulations and experimental data, and compared with existing methods, demonstrating its ability to handle several different classes of nanostructures.
foundations
research papers
This article describes ice structures that can be obtained during self-assembly of cubic water clusters with D2d and S4 symmetry. The high potential for self-organization of these clusters has been established recently.
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This article presents a fast and lossless algorithm for compressing diffraction data, achieving up to 85% reduction in file size while processing up to 2000 512 × 512 frames s−1. This breakthrough in compression technology is a significant step towards more efficient analysis and storage of large diffraction data sets.
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Matrix analysis is used to provide a computationally efficient mathematical framework for diffraction-based strain tomography.
In this research, a coloring framework is developed to construct colorings of a pattern fixed by a subgroup of the symmetry group. This framework is used to perform ordered substitution on parent crystal structures to obtain derived structures, particularly on the sphalerite (ZnS) crystal structure.
Infinite families of self-entangled and interwoven honeycomb (hcb) nets are described. The nets have one kind of vertex and one kind of edge. Some entanglements are Borromean. Infinite families of interpenetrating primitive cubic nets (pcu) are closely related.
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A mathematical toy model of chiral spiral cyclic twins is presented, describing a family of deterministically generated aperiodic point sets. Its individual members depend solely on a chosen pair of integer parameters, a modulus m and a multiplier μ, comprising local features of both periodic and aperiodic crystals. Chiral spiral cyclic twins are composed of discrete variants of continuous curves known as circle involutes.
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The modified Debye scattering equation, often used for characterizing defective nanoparticle ensembles, has been theoretically analyzed with a special focus on the significance and correctness of the site-occupancy factors, oi's.
short communications
A novel method for calculation of asymmetric units has been discovered. This development can simplify many crystallographic programs and speed up fast Fourier transform calculations.
international union of crystallography
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