forthcoming articles in Journal of Applied Crystallography

The following articles are a selection of those recently accepted for publication in Journal of Applied Crystallography.

See also Forthcoming articles in all IUCr journals.

Structural analysis of magnetic nanocrystals embedded in silicate glasses by ASAXS

V. S. Raghuwanshi, D. Tatchev, S. Haas, R. Harizanova, I. Gugov, C. Rüssel and A. Hoell

Synopsis: Anomalous small angle X-ray scattering (ASAXS) technique is applied to determine quantitative information of structure and composition of magnetic nanoparticles and their environment in silicate glasses.

Quantitative small angle scattering on mesoporous silica powders: from morphological features to specific surface estimation

J. Cambedouzou and O. Diat

Synopsis: Small angle scattering profiles of mesoporous materials are measured in absolute units and quantitatively compared to calculated profiles. This treatment allows determining the mesoporous specific surface of these materials without resorting to gas adsorption measurements.

From patterns to space groups and the eigensymmetry of crystallographic orbits: a reinterpretation of some symmetry diagrams in IUCr Teaching Pamphlet No. 14

L. Suescun and M. Nespolo

Synopsis: The common misinterpretation of a special orbit in centrosymmetric space groups as a general orbit in a polar subgroup is pointed out through some of the examples in IUCr Teaching Pamphlet No. 14, and an alternative interpretation is given.

Neutron Protein Crystallography at Ultra-Low (< 15 K) Temperatures

D. A. A. Myles, F. Dauvergne, M. P. Blakeley and F. Meilleur

Synopsis: Techniques used to successfully cryo-cool large protein crystals (1-5mm³) are described. High resolution cryo-neutron crystallography data were collected at 15 K for three test systems.

COVMAP: a new algorithm for structure model optimization in the EXPO package

A. Altomare, C. Cuocci, Giacovazzo, A. Moliterni and R. Rizzi

Synopsis: A new method for recovering atom positions missing in a structure model obtained at the end of the ab initio solution process has been developed.

Reduction of radiation damage and other benefits of short wavelengths for macromolecular crystallography data collection

R. Fourme, V. Honkimaki, E. Girard, K. Medjoubi, A.-C. Dhaussy and R. Kahn

Synopsis: X-ray photons with energy higher than usual improve both amount and quality of diffraction data from a given macromolecular crystal.

FraGen: a computer program for real-space structure solution of extended inorganic frameworks

Y. Li, J. Yu and R. Xu

Synopsis: A computer program is reported for the structure solution of extended inorganic frameworks in real space. The space group and cell parameters are the basic inputs required by this program. Prior chemical and crystallographic knowledge can significantly enhance its computation efficiency.

Untangling diffraction intensity: modulation enhanced diffraction on ZrO₂ powder

W. van Beek, H. Emerich, A. Urakawa, L. Palin, M. Milanesio, R. Caliandro, D. Viterbo and D. Chernyshov

Synopsis: Atomic selectivity in X-ray diffraction has been achieved by varying the X-ray energy, and thus the resonant scattering contributions, using the recently proposed modulation enhanced diffraction approach. A general experimental recipe is given, and possible schemes for data analysis are introduced, tested and discussed.

Unidirectional crystal growth and crystalline perfection of L-arginine phosphate monohydrate

B. Riscob, M. Shakir, N. Vijayan, K. K. Maurya, M. A. Wahab and G. Bhagavannarayana

Synopsis: A large and unidirectional single crystal of technologically important L-arginine phosphate monohydrate has been grown for the first time by the recently invented Sankaranarayanan-Ramasamy method. The crystalline perfection, and the mechanical and dielectric properties have been assessed and correlated.

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