

Cover illustration: Secondary electron image of a crystalline iron ore sinter phase, produced by heating to 1533 K and then cooling. Courtesy of N. V. Y. Scarlett, I. C. Madsen, M. I. Pownceby & A. N. Christensen [J. Appl. Cryst. (2004), 37, 362368]. 
J. Appl. Cryst. (2005). 38, 129 [ doi:10.1107/S0021889804029516 ] Stress analysis of polycrystalline thin films and surface regions by Xray diffractionU. Welzel, J. Ligot, P. Lamparter, A. C. Vermeulen and E. J. MittemeijerSynopsis: This paper reviews methods of diffraction stress analysis of thin films and surface regions. The cases of macroscopically elastically isotropic and anisotropic specimens are dealt with. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 3037 [ doi:10.1107/S0021889804023441 ] Determination of singlecrystal elasticity constants in a cubic phase within a multiphase alloy: Xray diffraction measurements and inversescale transition modellingS. Fréour, D. Gloaguen, M. François, A. Perronnet and R. GuillénSynopsis: A new approach is developed in order to determine singlecrystal elasticity constants of a cubic phase from the analysis of a multiphase polycrystal. This inverse method is based on the coupling of a threescale selfconsistent micromechanical model with diffraction lattice strain measurements involving in situ pure elastic loading. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 3854 [ doi:10.1107/S0021889804025518 ] Advances in protein and smallmolecule chargedensity refinement methods using MoProC. Jelsch, B. Guillot, A. Lagoutte and C. LecomteSynopsis: Structure and electrondensity refinement of large molecules and macromolecules with the program MoPro, useful constraints, restraints, new functionalities and application examples, are described. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 5561 [ doi:10.1107/S0021889804025841 ] Effects of Bragg peak profiles and nanoparticle sizes on the realspace pair distribution functionI.K. Jeong, M. J. Graf and R. H. HeffnerSynopsis: The effects of the instrument resolution functions and nanoparticle sizes on structural information obtained from the realspace pair distribution function are discussed using synthetic powder diffraction data. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 6268 [ doi:10.1107/S0021889804026822 ] A `static' highresolution Xray diffractometerP. F. FewsterSynopsis: A new diffractometer is described that requires no moving parts and can collect highresolution Xray data almost instantaneously. Example data are presented for InGaAs/GaAs and SiGe/Si multilayer structures. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 6977 [ doi:10.1107/S0021889804027566 ] Finding a cold needle in a warm haystack: infrared imaging applied to locating cryocooled crystals in loopsE. H. Snell, M. J. van der Woerd, M. D. Miller and A. M. DeaconSynopsis: The use of infrared imaging to locate crystals mounted in cryoloops cryocooled in a nitrogen gas stream at 100 K is demonstrated. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 7886 [ doi:10.1107/S0021889804027724 ] SAXS of selfassembled nanocomposite films with oriented twodimensional cylinder arrays: an advanced method of evaluationW. Ruland and B. SmarslySynopsis: Samllangle Xray scattering of thin films with oriented twodimensional cylindrical hexagonal mesostructures is evaluated. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 8790 [ doi:10.1107/S0021889804028055 ] Reduction in diffusoconvective disturbances in nanovolume protein crystallization experimentsD. C. Carter, P. Rhodes, D. E. McRee, L. W. Tari, D. R. Dougan, G. Snell, E. Abola and R. C. StevensSynopsis: Experimental observations and computational simulations suggest marked reduction in diffusoconvective disturbances in nanolitervolume protein crystallization drops, leading to enhanced crystal quality as measured by diffraction and mosaicity. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 9196 [ doi:10.1107/S0021889804028195 ] Distribution and Burgers vectors of dislocations in semiconductor wafers investigated by rockingcurve imagingD. Lübbert, C. Ferrari, P. Mikulík, P. Pernot, L. Helfen, N. Verdi, D. Korytár and T. BaumbachSynopsis: The method called `rockingcurve imaging' (RCI) has recently been developed to visualize lattice imperfections in large crystals such as semiconductor wafers with high spatial resolution. In this article, an extension of the method is proposed by which dislocation densities in largescale samples (semiconductor wafer crystals) can be quantified and their variation across the sample surface determined in an instrumentally simple way. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 97106 [ doi:10.1107/S0021889804028328 ] The intersect distribution of the regular tetrahedronS. CiccarielloSynopsis: The intersect distribution of the regular tetrahedron has an algebraic form throughout the full range of distances. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 107111 [ doi:10.1107/S0021889804028894 ] Characterization of a hybrid Monte Carlo search algorithm for structure determinationA. J. Markvardsen, K. Shankland, W. I. F. David and G. DidlickSynopsis: The parameters controlling a hybrid Monte Carlo sampling algorithm, as applied to the problem of crystal structure determination from powder diffraction data, have been characterized with the aid of a system for distributed computing. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 112120 [ doi:10.1107/S0021889804028717 ] Bainite and stressinduced martensite in an AISI type 300 steel: an Xray diffraction study of the microstructure by the Rietveld methodP. SahuSynopsis: An Xray diffraction study of the microstructure during phase transformations in an AISI type 300 steel is described. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 121125 [ doi:10.1107/S0021889804030250 ] Automated detection of disulfide bridges in electron density maps using linear discriminant analysisT. R. IoergerSynopsis: The ability to recognize disulfide bridges automatically in electron density maps would be useful to both protein crystallographers and automated modelbuilding programs. A computational method is described for recognizing disulfide bridges in uninterpreted maps based on linear discriminant analysis. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 126131 [ doi:10.1107/S0021889804029206 ] Xray scattering from unilamellar lipid vesiclesM. R. Brzustowicz and A. T. BrungerSynopsis: An improved smallangle Xray scattering method for determining asymmetric lipid bilayer structure in unilamellar vesicles is presented. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 132138 [ doi:10.1107/S0021889804029528 ] Ostwald ripening of cobalt precipitates in silica aerogels? An ultrasmallangle Xray scattering studyA. Braun, J. Ilavsky, B. C. Dunn, P. R. Jemian, F. E. Huggins, E. M. Eyring and G. P. HuffmanSynopsis: Silica aerogels were doped with cobalt, reduced, and studied with ultrasmallangle Xray scattering. A scattering pattern rich in structure extends over nearly four orders of magnitude in q space, covering real space from 5 to 3000 Å, exposing micropores, mesopores and macropores for all aerogels. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 139146 [ doi:10.1107/S0021889804029504 ] The defect structure of Y and Ndoped zirconiaI. KaiserBischoff, H. Boysen, F. Frey, J.U. Hoffmann, D. Hohlwein and M. LerchSynopsis: The structural disorder of a quaternary zirconia single crystal in the system ZrYON has been refined from diffuse neutron scattering data. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 147151 [ doi:10.1107/S0021889804029000 ] In situ anomalous smallangle Xray scattering from metal particles in supportedmetal catalysts. I. TheoryH. Brumberger, D. Hagrman, J. Goodisman and K. D. FinkelsteinSynopsis: For a threephase system, it is shown under what conditions the difference between scattering at two different Xray wavelengths is the scattering of a twophase system. From such measurements on a supportedmetal catalyst, the particle size distribution of the metal particles is extracted. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 152157 [ doi:10.1107/S0021889804030638 ] Shannon information as a measure of distortion in coordination polyhedraE. LalikSynopsis: A logarithmic function of bond orders, mathematically based on the Shannon entropy, has been proposed as a measure of distortion of MO_{n} polyhedra and is found to correlate with the shortestbond order within MO_{6} octahedra for MoO_{3} and other transition metal compounds. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 158167 [ doi:10.1107/S0021889804031231 ] Comparative evaluation of the March and generalized spherical harmonic preferred orientation models using Xray diffraction data for molybdite and calcite powdersH. Sitepu, B. H. O'Connor and D. LiSynopsis: The results of a comparative evaluation of the March model and the generalized spherical harmonic description for preferred orientation using Xray powder diffraction data for molybdite (MoO_{3}) and calcite show that the generalized spherical harmonic description generally provides superior figuresofmerit compared with the March model. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 168182 [ doi:10.1107/S0021889804031425 ] Xray absorption, refraction and resonant scattering tensors in selenated protein crystals: implications for data collection strategies in macromolecular crystallographyG. Bricogne, S. C. Capelli, G. Evans, A. Mitschler, P. Pattison, P. Roversi and M. SchiltzSynopsis: Xray optical and resonant scattering tensors were derived from polarized fluorescence measurements on a selenated protein crystal. The knowledge of these tensors allows the optimization of the phasing signal in an anomalous diffraction experiment. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 183192 [ doi:10.1107/S0021889804030675 ] Analysis of the mosaic structure of an ordered (Al,Ga)N layerL. Kirste, K. M. Pavlov, S. T. Mudie, V. I. Punegov and N. HerresSynopsis: The mosaic structure of an (Al,Ga)N layer grown on (0001) sapphire showing natural ordering was studied by highresolution Xray diffraction (HRXRD) reciprocalspace mapping. The evaluation followed two paths: (i) a procedure based on the WilliamsonHall plot and (ii) a new approach based on the statistical diffraction theory. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 193198 [ doi:10.1107/S0021889804031474 ] Likelihood weighting of partial structure factors using spline coefficientsK. CowtanSynopsis: A method for the weighting of structure factors from an incomplete and inaccurate model is described which relies on the fitting of smooth spline functions of resolution. This approach is used to investigate the stability of the problem when data are limited. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 199210 [ doi:10.1107/S0021889804031450 ] Rietveld texture analysis of complex oxides: examples of polyphased Bi2223 superconducting and Co349 thermoelectric textured ceramics characterization using neutron and Xray diffractionE. Guilmeau, D. Chateigner, J. Noudem, R. Funahashi, S. Horii and B. OuladdiafSynopsis: Rietveld texture analysis is applied to characterize the texture of polyphased superconducting cuprates and thermoelectric cobaltites. The anisotropy of the compounds is linked to the physical properties. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 211216 [ doi:10.1107/S0021889804031498 ] Characterization of ordered mesoporous films on silicon (001) surface using Xray and electron diffractionP.H. Liu, K.J. Chao, X.J. Guo, K.Y. Huang, Y.R. Lee, C.W. Cheng, M.S. Chiu and S.L. ChangSynopsis: The coexistence of twodimensional noncentered, twodimensional centered rectangular columnar structures and threedimensional tetragonal pore structure was detected in a mesoporous silica thin film on an Si wafer. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 217222 [ doi:10.1107/S0021889804031802 ] Ab initio structure solution of nucleic acids and proteins by direct methods: reciprocalspace and realspace approachK. Chowdhury, S. Bhattacharya and M. MukherjeeSynopsis: A combined reciprocalspacerealspace approach is described for solving macromolecular structures. The methodology has been found to be successful in redetermining the ab initio structures of six nucleic acids and proteins with data resolution up to 1.7 Å. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 223227 [ doi:10.1107/S0021889804027311 ] CURVIS: a program to study and analyse crystallographic structures and phase transitionsS. Piotto and R. NesperSynopsis: CURVIS is a computer program capable of visualizing crystallographic structures and hyperbolic surfaces, and of calculating and representing their curvatures during phase transitions. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 228231 [ doi:10.1107/S0021889804027074 ] COMPACK: a program for identifying crystal structure similarity using distancesJ. A. Chisholm and S. MotherwellSynopsis: A method is presented for comparing crystal structures to identify similarity in molecular packing environments. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 232236 [ doi:10.1107/S0021889804030845 ] VALTOPO: a program for the determination of atomic and molecular properties from experimental electron densitiesR. Bianchi and A. ForniSynopsis: A new program, VALTOPO, for the determination of electrostatic properties from accurate Xray diffraction data and for the analysis of experimental electron densities with the quantum theory of atoms in molecules, is presented. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 237238 [ doi:10.1107/S0021889804031528 ] FINDSYM: program for identifying the spacegroup symmetry of a crystalH. T. Stokes and D. M. HatchSynopsis: The aim of this program is to identify the spacegroup symmetry and give the lattice parameters and Wyckoff positions of the atoms in a standard setting, no matter what setting the original information is given in. Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 239 [ doi:10.1107/S0021889804029176 ] Xray Scattering from SemiconductorsOnline 19 January 2005 
J. Appl. Cryst. (2005). 38, 240245 [ doi:10.1107/S0021889804029541 ] Notes for authors 2005Online 19 January 2005 
J. Appl. Cryst. (2005). 38, 246248 forthcoming meetings and short courses 
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