

Cover illustration: Diffuse scattering around a 200 Bragg peak from a CuTi single crystal (the intensities are in ln scale, the plane is (001), with the [100] direction horizontal, and the Bragg peak is masked by the blue beam stop). Courtesy of O. Lyon, C. Servant & J. P. Simon [J. Appl. Cryst. (2000), 33, 928937]. 
J. Appl. Cryst. (2001). 34, 229238 [ doi:10.1107/S0021889801000462 ] Xray structure study of the lightinduced metastable states of the spincrossover compound [Fe(mtz)_{6}](BF_{4})_{2}J. Kusz, H. Spiering and P. GütlichSynopsis: The first Xray study of the metastable states of a spincrossover compound is presented, including spin transition without volume change. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 239251 [ doi:10.1107/S0021889801001832 ] String Fit: a new structurally oriented Xray and neutron reflectivity evaluation techniqueE. PolitschSynopsis: String Fit is a novel molecularstructureoriented neutron and Xray reflectivity analysis method. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 252257 [ doi:10.1107/S002188980100228X ] The resolution function for a timeofflight diffractometer with curved slits chopperI. IonitaSynopsis: A procedure for computing the resolution function for a timeofflight diffractometer with curved slits chopper, using the matrix computation technique, is presented. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 258262 [ doi:10.1107/S0021889801002254 ] Neutron transmission through pyrolytic graphite monochromatorsD. F. R. Mildner, M. Arif and S. A. WernerSynopsis: Thermal neutron transmission measurements have been made as a function of wavelength on a pyrolytic graphite monochromator crystal that has been set to diffract a horizontal beam at different takeoff angles. With respect to multiinstrument beamline design, the data show that it is best for a monochromator with the greatest (horizontal) takeoff angle to be placed upstream, while monochromators with decreasing takeoff angles should be placed progressively further downstream. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 263270 [ doi:10.1107/S0021889801002497 ] The determination of a stressfree lattice parameter within a stressed material using elastic anisotropyM. R. Daymond and M. W. JohnsonSynopsis: This paper describes a method for the calculation of a stressfree lattice parameter from the analysis of diffraction data, utilizing the elastic anisotropy of a stressed material. The technique is demonstrated using data from a uniaxial load test. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 271279 [ doi:10.1107/S0021889801002898 ] The determination of site occupancies using a new strategy in Rietveld refinementsM. HeuerSynopsis: A refinement strategy based on a bivariate analysis with a stepwise truncation of loworder reflection data and a rejection of outliers (LOT analysis), which had successfully been applied to Xray singlecrystal data, is applied to Rietveld refinements. Model calculations and refinements show an improvement in the determination of the site occupancy factors when the LOT strategy is used. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 280288 [ doi:10.1107/S0021889801003077 ] Orientation distribution analysis in deformed grainsJ. C. Glez and J. DriverSynopsis: Some improvements are proposed for the statistical analysis of orientation data within individual grains, in particular by allowing for crystallographic symmetries. A method based on quaternions is then presented to characterize orientation spreads including anisotropic effects. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 289297 [ doi:10.1107/S0021889801003260 ] Timeofflight neutron transmission diffractionJ. R. Santisteban, L. Edwards, A. Steuwer and P. J. WithersSynopsis: The Bragg edges appearing in timeofflight neutron transmission experiments of polycrystalline materials are used to define lattice parameters precisely. The technique is specially suited for very fast characterization of bulk samples as well as for mapping spatial changes in the lattice parameter and hence the strain in engineering samples. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 298310 [ doi:10.1107/S0021889801003715 ] Crystallite size distribution and dislocation structure determined by diffraction profile analysis: principles and practical application to cubic and hexagonal crystalsT. Ungár, J. Gubicza, G. Ribárik and A. BorbélySynopsis: Two different methods of diffraction peak profile analysis are suggested for the determination of microstructural parameters in terms of crystallite size distribution and dislocation structure. The first is based on modified WilliamsonHall and WarrenAverbach procedures; the second is a wholeprofile fitting by using the Fourier coefficients of ab initio size and strain profiles. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 311317 [ doi:10.1107/S0021889801004046 ] A new Xray powder diffractometer working in the 871000 K range for phasetransition analysesF. Sayetat and A. PratSynopsis: The new diffractometer is devoted to the detection of phase transitions, to the determination of thermal expansion curves and to the study of kinetic chemical reactions in situ. The apparatus has been tested by measuring the cell parameter of the standard material cubic Na_{2}Ca_{3}Al_{2}F_{14} in the 90600 K range, and by measuring the thermal expansion of the cell parameter of cubic AgI in the 303553 K range, revealing a firstorder phase transition. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 318324 [ doi:10.1107/S0021889801004332 ] Background estimation using a robust Bayesian analysisW. I. F. David and D. S. SiviaSynopsis: A novel method for the estimation of the background in a powder diffraction pattern has been developed using a robust Bayesian analysis. The underlying probability theory is discussed in terms of going beyond the Gaussian approximation normally associated with counting statistics and leastsquares analysis, and various examples are presented that illustrate the general applicability of the approach. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 325329 [ doi:10.1107/S0021889801004745 ] Computer simulation approach to reliability and accuracy in EXAFS structural determinationsP. Ghigna, M. Di Muri and G. SpinoloSynopsis: The fit of a set of simulated noisy EXAFS (extended Xray absorption fine structure) spectra can be used to sample the frequency distribution of structural parameters and provide their statistical estimators (mean, dispersion, correlations). Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 330335 [ doi:10.1107/S002188980100468X ] Polycapillary opticsource combinations for protein crystallographyF. A. Hofmann, W. M. Gibson, C. A. MacDonald, D. A. Carter, J. X. Ho and J. R. RubleSynopsis: A systematic study of the application of collimating and slightly focusing polycapillary optics to the Xray crystallographic structure determination of eggwhite lysozyme using two different sources, a standard rotating anode source and a lowpower tabletop microfocusing source, is presented. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 336342 [ doi:10.1107/S0021889801004691 ] Neural network application to the inverse scattering problem in highresolution Xray diffractionC. Glorieux and E. ZolotoyabkoSynopsis: The complicated inverse scattering problem of reconstructing depthdependent lattice parameters from highresolution Xray diffraction spectra is analysed by using neural networks. Attention is paid to the practically important case of structural modifications in the nearsurface layers of ionimplanted single crystals. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 343357 [ doi:10.1107/S0021889801005106 ] Neutron imaging with bent perfect crystals. I. Imaging conditionsA. D. Stoica, M. Popovici and C. R. HubbardSynopsis: Neutron imaging with bent crystals is considered in the linear approximation of neutron optics. A matrix formalism analogous to that of conventional lens optics is developed. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 358364 [ doi:10.1107/S0021889801005064 ] Application of quantitative texture analysis to Rietveld profile refinement of neutron diffraction patterns of a zircaloy sampleY. C. Kim, B. S. Seong, J. H. Lee and E. J. ShinSynopsis: The possibility of extending the Rietveld method to incorporate textured polycrystalline materials is demonstrated with a zircaloy sample. By assigning the pole densities obtained by separate texture analysis to the preferred orientation factors in the mathematical model of the Rietveld method, good profile refinement results are achieved with the neutron diffraction patterns. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 365370 [ doi:10.1107/S0021889801003697 ] Crystallization and cryocrystallography inside Xray capillariesF. J. LópezJaramillo, J. M. GarcíaRuiz, J. A. Gavira and F. OtáloraSynopsis: The feasibility of growing isolated protein crystals inside Xray capillaries from gelled solutions of proteins has been demonstrated experimentally. Using these same Xray capillaries, Xray diffraction data were collected at both room temperature and 100 K. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 371374 [ doi:10.1107/S0021889801003624 ] Integrating biocrystallography into traditional biology and chemistry curriculaM. JaskólskiSynopsis: New academic courses for teaching protein crystallography to biology and chemistry students have been developed. They include modelbuilding exercises using adapted generalpurpose kits and application of Web tools for practical classes and for conducting educational/examination quizzes. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 375380 [ doi:10.1107/S0021889801003053 ] A citation analysis of the Cambridge Crystallographic Data CentreJ. Redman, P. Willett, F. H. Allen and R. TaylorSynopsis: A citation analysis of papers published by the CCDC for the period 19811998 shows rapidly increasing citation frequencies over time, over journals and over geographical regions. The ten most highly cited papers, comprising database descriptions, geometrical tabulations and basic research papers, together received an average of 1058 citations per annum over the period 19951998. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 381385 [ doi:10.1107/S0021889801004009 ] Microstructural transformation of vanadium pentoxide powder obtained by highenergy vibrational ballmillingP. Chatterjee, S. P. Sen Gupta and S. SenSynopsis: An Xray powder diffraction profile analysis of ballmilled ceramic vanadium pentoxide samples reveals the development of nanostructure with significant plastic strain and its confinement. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 386387 [ doi:10.1107/S0021889801003685 ] Optimization and planning of experiments in singlecrystal diffractometry with a zerodimensional detectorYu. NekrasovSynopsis: An algorithm for the optimization of data collection is described. The algorithm ensures optimum quality of measurements at the set survey rate and operates efficiently and simply by the flexible distribution of time between first and second measurements of a reflection. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 388391 [ doi:10.1107/S0021889801004666 ] A simple and efficient innovation of the vapordiffusion method for controlling nucleation and growth of large protein crystalsG. Li, Y. Xiang, Y. Zhang and D.C. WangSynopsis: A simple innovation of the conventional vapordiffusion method, involving the introduction of a capillary barrier (for hanging drop) or a punched film barrier (for sitting drop), has been set up. Crystallization experiments showed that this modified vaporcontrollingdiffusion method is very effective for producing large protein crystals. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 392397 [ doi:10.1107/S0021889801002904 ] Quanto: a Rietveld program for quantitative phase analysis of polycrystalline mixturesA. Altomare, M. C. Burla, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, G. Polidori and R. RizziSynopsis: The program Quanto is described; it is devoted to quantitative phase analysis of polycrystalline samples by means of the Rietveld method. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 398404 [ doi:10.1107/S0021889801003302 ] Refinement of modulated structures against Xray powder diffraction data with JANA2000M. Dusek, V. Petrícek, M. Wunschel, R. E. Dinnebier and S. van SmaalenSynopsis: A new version of the computer program JANA is introduced that allows Rietveld refinements of periodic and aperiodic crystal structures. Applications to (CO)_{x}C_{60} and the incommensurately modulated structure of NbTe_{4} are presented. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 405 [ doi:10.1107/S0021889801002928 ] TWIN3.0  a program for testing twinning by merohedryV. Kahlenberg and T. MessnerSynopsis: The program TWIN3.0 is intended to test singlecrystal data sets for the possible existence of twinning by merohedry. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 406 [ doi:10.1107/S0021889801006008 ] Estimation of cobalt coating layer thickness on acicular Fe_{3}O_{4} powder using HRTEM. ErratumK. Sakai, H. Saguchi and T. NishimuraSynopsis: Erratum to J. Appl. Cryst. (2001), 34, 102107. Online 22 May 2001 
J. Appl. Cryst. (2001). 34, 407408 forthcoming meetings and short courses 
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