Journal of Applied Crystallography: Vol 44, No 4

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Journal of Applied Crystallography: Volume 44, Issue 4

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research papers

Surface curvatures and diffraction profiles of sagittally bent Laue crystals

Amdahl's law and parallelization of the FMLSQ program on the Intel Nehalem architecture

Crystalline perfection of an aluminium single crystal determined by neutron diffraction

Full local elastic strain tensor from Laue microdiffraction: simultaneous Laue pattern and spot energy measurement

Characterization of the pore structure of metakaolin-derived geopolymers by neutron scattering and electron microscopy

Structure determination from powder diffraction data using a new intensity extraction algorithm

Extracting the pair distribution function from white-beam X-ray total scattering data

Properties of elliptical guides for neutron beam transport and applications for new instrumentation concepts

A new approach for the determination of multiple cation locations and ordering, using the example of natural and heat-treated columbites

Effect of wavelength-dependent attenuation on neutron diffraction stress measurements at depth in steels

Novel approach to controlled protein crystallization through ligandation of yttrium cations

Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem

Fast fluorescence techniques for crystallography beamlines

Stacking fault model of ɛ-martensite and its DIFFaX implementation

Mitigation of errors in pair distribution function analysis of nanoparticles

In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities

Exploring the structure of inter-platelet galleries in organically modified montmorillonite using the small-angle X-ray scattering interface distribution function approach

Analysis of multiple solutions in powder pattern indexing: the common reciprocal metric tensor approach

Decomposition of W(CO)6 at high pressures and temperatures

High-pressure single-crystal neutron diffraction to 10 GPa by angle-dispersive techniques

Enhancement in crystalline perfection and optical properties of benzophenone single crystals: the remarkable effect of a liquid crystal

Structural elucidation of β-(Y,Sc)2Si2O7: combined use of 89Y MAS NMR and powder diffraction

Characterization of rutile passivation layers formed on Magnéli-phase titanium oxide inert anodes

Evidence for correlated structural and electrical changes in a Ge2Sb2Te5 thin film from combined synchrotron X-ray techniques and sheet resistance measurements during in situ thermal annealing

computer programs

A program to analyze the distributions of unmeasured reflections

gsaslanguage: a GSAS script language for automated Rietveld refinements of diffraction data

MetLigDB: a web-based database for the identification of chemical groups to design metalloprotein inhibitors

New software for statistical analysis of Cambridge Structural Database data

crystallographers

Simon Charles Moss (1934–2011)

book reviews

Combined Analysis. By D. Chateigner. Pp. xviii + 497, 188 figures + 46 tables. London, Hoboken: ISTE Ltd, Wiley, 2010. Price (hardcover) EUR 132. ISBN 978-1-84821-198-8.

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Decomposition of W(CO)₆ at high pressures and temperatures

Structural elucidation of β-(Y,Sc)₂Si₂O₇: combined use of ⁸⁹Y MAS NMR and powder diffraction

Evidence for correlated structural and electrical changes in a Ge₂Sb₂Te₅ thin film from combined synchrotron X-ray techniques and sheet resistance measurements during in situ thermal annealing