

Cover illustration: The crystal structure of titanite, CaTiOSiO_{4}, viewed down the direction of the octahedral TiO_{6} chains. The full green lines indicate a unit cell of the twodimensional Ising model, used to predict diffuse scattering intensity observable in layers normal to the chain direction. Ti atoms are shown in green, Ca in light grey, O in blue. The thinner red lines are SiO bonds, the thick red lines TiO1 bonds. Courtesy of T. Malcherek, C. Paulmann, M. C. Domeneghetti & U. Bismayer [J. Appl. Cryst. (2001), 34, 108113]. 
J. Appl. Cryst. (2002). 35, 383400 [ doi:10.1107/S0021889802008798 ] Outcomes of the International Union of Crystallography Commission on Powder Diffraction Round Robin on Quantitative Phase Analysis: samples 2, 3, 4, synthetic bauxite, natural granodiorite and pharmaceuticalsN. V. Y. Scarlett, I. C. Madsen, L. M. D. Cranswick, T. Lwin, E. Groleau, G. Stephenson, M. Aylmore and N. AgronOlshinaSynopsis: This second part of a round robin on the determination of quantitative phase abundance from diffraction data addresses problems including preferred orientation, the analysis of amorphous content, microabsorption, complex synthetic and natural mineral suites, along with pharmaceutical mixtures with and without an amorphous component. It is concluded that the greatest physical obstacle to accurate quantitative phase analysis for Xray based methods is the presence of absorption contrast between phases (microabsorption), which may prove to be insurmountable in some circumstances. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 401405 [ doi:10.1107/S0021889802005824 ] The calculation of a parent grain orientation from inherited variants for approximate (b.c.c.h.c.p.) orientation relationsM. Humbert and N. GeySynopsis: The paper describes a method based on orientation distances for evaluating the orientation of a parent b.c.c. (bodycentred cubic) grain from several h.c.p. (hexagonal close packed) inherited variants in the case of an approximate (b.c.c.h.c.p.) orientation relation. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 406421 [ doi:10.1107/S0021889802006088 ] IsGISAXS: a program for grazingincidence smallangle Xray scattering analysis of supported islandsR. LazzariSynopsis: The purpose of the IsGISAXS program is to simulate and analyse grazingincidence smallangle Xray scattering of islands on a substrate in the distortedwave Born approximation. Various island shapes and repartitions on the substrate are encompassed in the program. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 422429 [ doi:10.1107/S0021889802006556 ] Completion of crystal structure by powder diffraction data: a new method for locating atoms with polyhedral coordinationC. Giacovazzo, A. Altomare, C. Cuocci, A. G. G. Moliterni and R. RizziSynopsis: A new method able to locate cations and surrounding anions in tetrahedral or octahedral coordination is described. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 430433 [ doi:10.1107/S0021889802006817 ] Reflection of waveguided Xrays in twodimensional nanostructuresF. Pfeiffer, T. Salditt and C. DavidSynopsis: The internal reflection of an excited Xray waveguide mode at an internal lateral boundary in a synthetic nanostructure has been measured. The experiment constitutes an important step towards the production of a coherent nanometresized Xray point source by twodimensionally defined waveguide structures. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 434442 [ doi:10.1107/S0021889802006829 ] Xray diffraction, neutron scattering and EXAFS spectroscopy of monoclinic zirconia: analysis by Rietveld refinement and reverse Monte Carlo simulationsM. Winterer, R. Delaplane and R. McGreevySynopsis: Extended Xray absorption fine structure (EXAFS) and neutron scattering data from monoclinic zirconia are analysed independently and simultaneously by reverse Monte Carlo (RMC) modelling; analysis of EXAFS spectra by RMC modelling results in reliable and accurate information on the local structure consistent with neutron scattering and Xray diffraction experiments. A simultaneous analysis of neutron scattering and EXAFS data provides more complete information on the local structure than the analysis of the independent data sets. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 443454 [ doi:10.1107/S0021889802007835 ] Molecular, crystallographic and algorithmic factors in structure determination from powder diffraction data by simulated annealingK. Shankland, L. McBride, W. I. F. David, N. Shankland and G. SteeleSynopsis: Factors influencing the performance of a simulatedannealing approach to the determination of molecular crystal structures from Xray powder diffraction data are investigated. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 455458 [ doi:10.1107/S0021889802008038 ] Triangular dendrites of LiAlSiO_{4}SiO_{2}: evolution between threefold and sixfoldsymmetric morphologiesS. R. Zhao, J. Tan, J. Y. Wang, X. B. Hu and H. LiuSynopsis: A special kind of triangular dendrite of LiAlSiO_{4}SiO_{2} (or Li_{1x}Al_{1x}Si_{1+x}O_{4}, 0 x 1) in matt glaze has been observed by DIC (differential interference contrast) microscopy. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 459470 [ doi:10.1107/S0021889802008440 ] Threedimensional Ptnanoparticle networks studied by anomalous smallangle Xray scattering and Xray absorption spectroscopyT. Vad, H.G. Haubold, N. Waldöfner and H. BönnemannSynopsis: Metalorganic networks formed by crosslinking aluminiumorganicstabilized platinum nanoparticles with bifunctional spacer molecules are investigated by anomalous smallangle Xray scattering. For the structural characterization, a model function for a multicomponent system of hard spheres is proposed and applied to three different samples; the results are compared with those obtained from Xray absorption measurements and the application of Fourier methods (characteristic function). Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 471476 [ doi:10.1107/S0021889802008403 ] A pixel detector with large dynamic range for high photon counting ratesJ.F. Bérar, L. Blanquart, N. Boudet, P. Breugnon, B. Caillot, J.C. Clemens, P. Delpierre, I. Koudobine, C. Mouget, R. Potheau and I. ValinSynopsis: The use of pixel detectors at synchrotron beams is described. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 477480 [ doi:10.1107/S0021889802008580 ] On the handling of atomic anisotropic displacement parametersR. W. GrosseKunstleve and P. D. AdamsSynopsis: Theoretical and practical aspects of handling atomic anisotropic displacement parameters are discussed. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 481490 [ doi:10.1107/S0021889802008737 ] Quantitative phase analysis by combining the Rietveld and the wholepattern decomposition methodsC. Giannini, A. Guagliardi and R. MilliniSynopsis: A method is described to combine the Rietveld and the wholepattern decomposition techniques for the quantitative phase analysis of mixtures containing phases with unknown or imperfectly known crystal structure. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 491496 [ doi:10.1107/S0021889802009032 ] Modeling growth and equilibrium form of SiO_{2}M. F. Nicolov and C. F. WoensdregtSynopsis: Computation of attachment energies, which are considered to be directly related to the growth rates of the corresponding F faces, has been performed using an electrostatic pointcharge model, taking into account Born repulsion and van der Waals contributions computed by means of the Gilbert equation or the van Beest and van Santen shortrange potentials. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 497504 [ doi:10.1107/S0021889802009044 ] Mapping of unstressed lattice parameters using pulsed neutron transmission diffractionJ. R. Santisteban, A. Steuwer, L. Edwards, P. J. Withers and M. E. FitzpatrickSynopsis: The Bragg edges appearing in timeofflight neutron transmission experiments are used in combination with the sin^{2} technique to map the spatial variation of the unstressed lattice parameter in a ferritic weld. The technique is first introduced and then validated on a specially prepared biaxially stressed sample before use on a ferritic steel weld. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 505 [ doi:10.1107/S0021889802008312 ] Elimination of minimal FFT gridsize limitationsD. A. LangsSynopsis: The fast Fourier transform (FFT) algorithm as normally formulated allows one to compute the Fourier transform of up to N complex structure factors, F(h), N/2 h > N/2, if the transform (r) is computed on an Npoint grid. This note calls attention to a simple remedy whereby an FFT can be used to compute the transform on as coarse a grid as one desires without loss of precision. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 506508 [ doi:10.1107/S002188980200972X ] Neutron diffraction studies of collagen in human cancellous boneJ. M. S. Skakle and R. M. AspdenSynopsis: Neutron diffraction data have, for the first time, been recorded from collagen in cancellous human bone. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 509510 [ doi:10.1107/S0021889802007227 ] A modular plate for the optimization of protein crystallization conditionsB. Lorber and R. CudneySynopsis: A modular protein crystallization plate is described. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 511512 [ doi:10.1107/S002188980200732X ] SUPERGROUPS  a computer program for the determination of the supergroups of the space groupsS. Ivantchev, E. Kroumova, M. I. Aroyo, J. M. PerezMato, J. M. Igartua, G. Madariaga and H. WondratschekSynopsis: A computer program for the determination of supergroups of space groups is described. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 513514 [ doi:10.1107/S002188980200907X ] Routines for spacegroup generator, asymmetric unit and crystallographic fast Fourier transformF. PavelcíkSynopsis: A system of computer routines for a spacegroup symmetry, for automatic generation of the asymmetric unit and for crystallographic FFT was developed. These routines can be helpful in solving various crystallographic problems. Online 18 July 2002 
J. Appl. Cryst. (2002). 35, 515516 forthcoming meetings and short courses 
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