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Preview: Forthcoming article in Acta Crystallographica Section A: Foundations of Crystallography

Forthcoming article in Acta Crystallographica Section A Foundations and Advances



Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination



 



B7 as a supergroup of crystal and quasi-crystal symmetries
Practical generation of all Bravaise as well as quasi-crystal symmetries from a finite group.



Hyperbolic crystallography of two-periodic surfaces and associated structures
The intrinsic, hyperbolic crystallography of the two-periodic, genus-two HCB- and SQL-surfaces is presented. All discrete groups containing the translations of the euclidean embeddings of these surfaces are derived, and examples of applications are given.



Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to l-alanine, naphthalene and xylitol
The performance of a lattice-dynamical model refined against elastic Bragg scattering data is tested on l-alanine, naphthalene and xylitol.



Asymmetry in serial femtosecond crystallography data
Distribution analysis of intensity observations in serial femtosecond crystallography data processing helps to separate Bragg reflections from the background detector response.



Computer simulations of X-ray six-beam diffraction in a perfect silicon crystal. II
Computer simulations of six-beam (000, 220, 242, 044, −224, −202) X-ray diffraction in a perfect silicon crystal of large thickness are performed. Both the plane-wave angular dependence and the six-beam section topographs are investigated.



A general algorithm for generating isotropy subgroups in superspace
Irreducible representations can now be used to derive the isotropy subgroups at irrational wavevectors, making it relatively easy to explore the (3 + d)-dimensional superspace-group symmetries that arise from incommensurate modulations of a parent crystal structure. A general algorithm capable of arbitrary superpositions of multiple incommensurate and commensurate order parameters is presented.



Ordering of convex polyhedra and the Fedorov algorithm
The relation between the Fedorov algorithm to generate the whole combinatorial variety of convex polyhedra and the ordering of convex n-acra is found. A method to weakly order the convex n-acra by the maximum extra valencies of their vertices is suggested.






MPF, a multipurpose figure of merit for phasing procedures
A new figure of merit, MPF, has been devised. It may be usefully applied in different contexts of a phasing procedure.



Lattice reduction using a Euclidean algorithm
The reduction of a crystal lattice is considered. The reduction associated with the existence of a commensurate translation that leaves the crystal invariant is addressed, and a practical scheme for it is provided.



How many photons are needed to reconstruct random objects in coherent X-ray diffractive imaging?
The critical photon fluence for reconstructing objects from noisy diffraction patterns is computed by a maximum-likelihood estimator, for the optical near- and far-field regimes, of random binary bitmap images as a function of contrast value.