

Cover illustration: Example of a threedimensional reciprocalspace map recorded from a sample of GaAs nanowires grown on GaAs. Courtesy of Schlepütz et al. [J. Appl. Cryst. (2011), 44, 7383]. 
J. Appl. Cryst. (2012). 45, 381388 [ doi:10.1107/S0021889812009557 ] Monte Carlo estimation of the structure factor for hard bodies in smallangle scatteringS. HansenSynopsis: A method is described for the calculation of the excludedvolume distance distribution for particles of arbitrary shape. Examples are given for ellipsoids, cylinders and cylinders with hemispherical end caps, of axial ratios between 0.1 and 10. Estimates of the structure factor using this method are compared with the hardsphere approximation. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 389392 [ doi:10.1107/S0021889812009247 ] Structurefactor statistics and crystal symmetryU. ShmueliSynopsis: This short article presents some applications of structurefactor statistics to the determination of crystal symmetry. It is thought that this is the first application of nonideal structurefactor statistics to real intensity data. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 393397 [ doi:10.1107/S0021889812011867 ] Xray diffuse scattering in SrTiO_{3} and model of atomic displacementsM. Kopecký, J. Fábry and J. KubSynopsis: The scattering intensity of synchrotron radiation in a compact threedimensional volume of the reciprocal space of an SrTiO_{3} single crystal has been measured. The diffuse pattern cannot be explained by a simple chain of just one of the displaced cations but is compatible with the displacements of Sr^{2+} along [001]_{cub} (where the subscript cub denotes the cubic structure) correlated in the same direction and with simultaneous displacements of Ti^{4+} along [111]_{cub}, or alternatively along [011]_{cub} or [101]_{cub}, while the displacements of Ti^{4+} are correlated along [001]_{cub}. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 398405 [ doi:10.1107/S0021889812015075 ] Patterson analysis for layer profile determination by neutron or Xray reflectometryZ. TunSynopsis: Although not strictly valid, Patterson analysis is a way of analysing neutron or Xray reflectometry data. In some special cases it could even be the preferred way, especially if a strategy for minimizing the distortion caused by the breakdown of the kinematic approximation is adopted. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 406416 [ doi:10.1107/S0021889812012812 ] Simple inversion formula for the smallangle Xray scattering intensity from polydisperse systems of spheresR. Botet and B. CabaneSynopsis: A simple method to obtain the size distribution of a population of polydisperse spheres from smallangle scattering data is presented. The method is based on the deviations of the scattering signal from the Porod law and is optimized and stable for broad distributions. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 417429 [ doi:10.1107/S0021889812015191 ] Applications of leverage analysis in structure refinementS. Parsons, T. Wagner, O. Presly, P. A. Wood and R. I. CooperSynopsis: Leverage analysis can be used to investigate the importance of weak data and the effectiveness of restraints. It can also improve the precision of estimates of selected parameters: the standard uncertainty of the Flack parameter can be reduced to 0.1 or below even for lightatom crystal structures. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 430438 [ doi:10.1107/S0021889812008631 ] Influence of the matrix on the fractal properties of precipitated silica in compositesG. J. Schneider, W. Hengl, K. Brandt, S. V. Roth, R. Schuster and D. GöritzSynopsis: Smallangle Xray scattering experiments on composites of polymers and hierarchically structured silica reveal that internal and external forces caused by mixing processes determine the particle morphology. The strength of the interaction between the polymer chains and the particle surface does not visibly affect the experimental results. Online 31 March 2012 
J. Appl. Cryst. (2012). 45, 439443 [ doi:10.1107/S0021889812013969 ] Growth and electroelastic properties of K(H_{1x}D_{x})_{2}PO_{4} single crystalsB. Liu, X. Yin, X. Sun, M. Xu, S. Ji, X. Xu and J. ZhangSynopsis: The elastic, piezoelectric and dielectric constants of K(H_{1x}D_{x})_{2}PO_{4} crystals (with composition x from 0 to 0.90) were determined using the resonance technique and impedance analysis, respectively. The reasons for the composition dependence of these constants were analyzed based on the variation of the crystal structures resolved by singlecrystal Xray diffraction. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 444452 [ doi:10.1107/S0021889812008217 ] Observation of a lowsymmetry phase in Na_{0.5}Bi_{0.5}TiO_{3} crystals by optical birefringence microscopyS. Gorfman, A. M. Glazer, Y. Noguchi, M. Miyayama, H. Luo and P. A. ThomasSynopsis: Single crystals of Na_{0.5}Bi_{0.5}TiO_{3} were investigated by optical birefringence microscopy as a function of temperature. Evidence of a temperaturedriven rotation of the axis of the optical indicatrix within a monoclinic plane was obtained. Online 31 March 2012 
J. Appl. Cryst. (2012). 45, 453457 [ doi:10.1107/S0021889812010722 ] Singlecrystal CVD diamonds as smallangle Xray scattering windows for highpressure researchS. Wang, Y. Meng, N. Ando, M. Tate, S. Krasnicki, C. Yan, Q. Liang, J. Lai, H. Mao, S. M. Gruner and R. J. HemleySynopsis: Singlecrystal chemical vapor deposition (CVD) diamonds have been investigated using smallangle Xray scattering, Xray topography and photoluminescence techniques. An undoped singlecrystal CVD diamond proved to be an excellent window material in the characterization of protein unfolding at high pressures. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 458470 [ doi:10.1107/S0021889812011569 ] Patterson selectivity by modulationenhanced diffractionR. Caliandro, D. Chernyshov, H. Emerich, M. Milanesio, L. Palin, A. Urakawa, W. van Beek and D. ViterboSynopsis: The difficulties of phasing experimental diffraction patterns obtained by the novel modulationenhanced diffraction (MED) technique are described. Once these difficulties are overcome, MED results are better than those obtained by standard phasing methods. Indications are given for future developments. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 471481 [ doi:10.1107/S0021889812015154 ] A Bayesian approach for denoising onedimensional dataC. Hogg III, K. Mullen and I. LevinSynopsis: A Bayesian approach is presented to quantify uncertainty in the true signal underlying noisy count data. A free software implementation has been developed. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 482488 [ doi:10.1107/S0021889812016159 ] Pair distribution function analysis of molecular compounds: significance and modeling approach discussed using the example of pterphenylN. Rademacher, L. L. Daemen, E. L. Chronister and Th. ProffenSynopsis: Specific features in pair distribution functions of molecular crystals are discussed and modeling procedures introduced. As an example, the shortrange order in pterphenyl is investigated using total scattering methods. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 489495 [ doi:10.1107/S0021889812013490 ] Instrumental setup for highthroughput small and wideangle solution scattering at the X33 beamline of EMBL HamburgC. E. Blanchet, A. V. Zozulya, A. G. Kikhney, D. Franke, P. V. Konarev, W. Shang, R. Klaering, B. Robrahn, C. Hermes, F. Cipriani, D. I. Svergun and M. RoessleSynopsis: An experimental setup is presented for automated highthroughput small and wideangle synchrotron Xray scattering studies of macromolecular solutions at EMBL Hamburg. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 496502 [ doi:10.1107/S0021889812008953 ] Strain analysis in Si microelectromechanical systems by dynamical Xray diffractionT. SakaSynopsis: Longrange strain can be detected by rotating a specimen along the scattering vector. This method is applied to Si devices. Online 31 March 2012 
J. Appl. Cryst. (2012). 45, 503506 [ doi:10.1107/S0021889812011545 ] Regularly branched InN nanostructures: zincblende nanocore and polytypic transitionI. Jung, S. Lee, D. Shin, H. Park, M. Y. Ju and C. KimSynopsis: On the basis of the crystallographic analysis of regularly branched InN tetrapods, it is proposed that the polytypic transition at four {111} faces of a truncated tetrahedral nanocore plays an important role in the branching regularity. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 507512 [ doi:10.1107/S0021889812008928 ] Optimization of the thickness of a ZnS/^{6}LiF scintillator for a highresolution detector installed on a focusing smallangle neutron scattering spectrometer (SANSU)H. Iwase, M. Katagiri and M. ShibayamaSynopsis: The highresolution detector on the SANSU spectrometer at the Japan Atomic Energy Agency has been upgraded by improving experimental efficiency with the optimization of the thickness of a ZnS/^{6}LiF scintillator. Online 31 March 2012 
J. Appl. Cryst. (2012). 45, 513516 [ doi:10.1107/S0021889812015804 ] An analytical scattering function for polydisperse spherical coreshell particles with SchulzFlory size distributions of both core size and shell thicknessJ. WagnerSynopsis: A closed analytical expression for the form factor of spherical coreshell particles, with independent SchulzFlory size distribution functions for both the core size and the shell thickness, is derived. The results of the analytical expression are identical to numerical results and existing analytical expressions for homogeneous spheres. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 517522 [ doi:10.1107/S0021889812015038 ] Analysis of polycrystallinity in hen eggwhite lysozyme using a pnCCDS. Send, A. Abboud, W. Leitenberger, M. S. Weiss, R. Hartmann, L. Strüder and U. PietschSynopsis: An analysis of polycrystallinity in tetragonal hen eggwhite lysozyme by means of energydispersive Laue diffraction techniques using a pnCCD detector is presented. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 523534 [ doi:10.1107/S0021889812014847 ] The PVT equation of state of D_{2}O ice VI determined by neutron powder diffraction in the range 0 < P < 2.6 GPa and 120 < T < 330 K, and the isothermal equation of state of D_{2}O ice VII from 2 to 7 GPa at room temperatureA. D. Fortes, I. G. Wood, M. G. Tucker and W. G. MarshallSynopsis: Ice VI is an important rockforming mineral phase in icy planetary bodies; the pressure and temperature dependence of its density have been measured using powder neutron diffraction, throughout the highpressure stability field, to obtain an accurate equation of state parameterization. These data are used to derive other thermodynamic quantities of use in planetary modelling. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 535545 [ doi:10.1107/S002188981201607X ] In situ studies into the formation kinetics of potassium jarositeH. E. A. Brand, N. V. Y. Scarlett and I. E. GreySynopsis: This paper reports the results of timeresolved synchrotron powder diffraction and smallangle scattering experiments designed to investigate the formation of potassium jarosite. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 546553 [ doi:10.1107/S0021889812003445 ] Polarizationanalyzed smallangle neutron scattering. I. Polarized data reduction using PolCorrK. Krycka, W. Chen, J. Borchers, B. Maranville and S. WatsonSynopsis: Efficiency corrections for polarized smallangle neutron scattering are presented and the accompanying software, PolCorr, is described. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 554565 [ doi:10.1107/S0021889812010114 ] Polarizationanalyzed smallangle neutron scattering. II. Mathematical angular analysisK. Krycka, J. Borchers, Y. Ijiri, R. Booth and S. MajetichSynopsis: Algorithms for the separation of nuclear and magnetic polarized smallangle neutron scattering at all angles, including the case of anisotropic samples, are presented. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 566567 [ doi:10.1107/S0021889812014318 ] BayesApp: a web site for indirect transformation of smallangle scattering dataS. HansenSynopsis: A web site for indirect transformation of smallangle scattering data is presented. No user input is necessary beyond the experimental data. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 568572 [ doi:10.1107/S0021889812011715 ] XDSAPP: a graphical user interface for the convenient processing of diffraction data using XDSM. Krug, M. S. Weiss, U. Heinemann and U. MuellerSynopsis: XDSAPP, a graphical user interface for the easy and convenient processing of diffraction data sets using XDS, is described. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 573574 [ doi:10.1107/S0021889812014252 ] ISODEC: software for calculating diffraction elastic constantsT. GnäupelHeroldSynopsis: ISODEC is a program for the calculation of diffraction elastic constants for aggregates with and without preferred orientation. It also calculates stress from lattice strain and vice versa. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 575580 [ doi:10.1107/S0021889812016068 ] EDMA: a computer program for topological analysis of discrete electron densitiesL. Palatinus, S. J. Prathapa and S. van SmaalenSynopsis: A computer program for topological analysis of discrete electron densities is presented. Test calculations demonstrate the accuracy of the applied methods. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 581586 [ doi:10.1107/S0021889812017293 ] Graphical tools for macromolecular crystallography in PHENIXN. Echols, R. W. GrosseKunstleve, P. V. Afonine, G. Bunkóczi, V. B. Chen, J. J. Headd, A. J. McCoy, N. W. Moriarty, R. J. Read, D. C. Richardson, J. S. Richardson, T. C. Terwilliger and P. D. AdamsSynopsis: The foundations and current features of a widely used graphical user interface for macromolecular crystallography are described. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 587593 [ doi:10.1107/S0021889812015786 ] The Small Angle Scattering ToolBox (SASTBX): an opensource software for biomolecular smallangle scatteringH. Liu, A. Hexemer and P. H. ZwartSynopsis: A novel software platform for the analysis of biological smallangle scattering is presented. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 594597 [ doi:10.1107/S0021889812014859 ] XBroad: program for extracting basic microstructure information from Xray diffraction patterns in few clicksZ. Skoko, J. Popovic, K. Dekanic, V. Kolbas and S. PopovicSynopsis: The Stokes deconvolution method followed by WarrenAverbachBertaut and/or WilliamsonHall analysis is implemented in easytouse program, XBroad, for quick extraction of basic microstructural information from powder Xray diffraction data. Online 4 May 2012 
J. Appl. Cryst. (2012). 45, 598602 [ doi:10.1107/S002188981201775X ] PROSPERO: online prediction of crystallographic success from experimental results and sequenceF. H. Zucker, H. Y. Kim and E. A. MerrittSynopsis: The PROSPERO server analyzes sequence and experimental protein characterization results, then uses that analysis to predict crystallization outcome and suggest priorities for futher work on difficult targets. The server allows users to upload data from six types of experiment, to organize those data by sample and project, and to share those data with collaborators. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 603607 [ doi:10.1107/S0021889812016056 ] nxs: a program library for neutron cross section calculationsM. BoinSynopsis: A reusable program library to compute cold and thermal neutron cross sections and examples of its application for Bragg edge imaging are presented. Online 16 May 2012 
J. Appl. Cryst. (2012). 45, 608610 [ doi:10.1107/S0021889812012332 ] A compact, transportable, thermoelectrically cooled cold stage for reflection geometry Xray powder diffractionI. G. Wood, N. J. Hughes, F. Browning and A. D. FortesSynopsis: A thermoelectrically cooled sample stage for Xray powder diffraction in the range from about 250 to 300 K is described. The stage is constructed in such a way that it may be removed from the diffractometer and precooled to its base temperature before the sample is loaded. Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 611 [ doi:10.1107/S0021889812015725 ] Valentin Ivanovich Simonov (19302012)Online 25 April 2012 
J. Appl. Cryst. (2012). 45, 612 [ doi:10.1107/S0021889812014434 ] Materials Science of DNAOnline 16 May 2012 
J. Appl. Cryst. (2012). 45, 613 [ doi:10.1107/S0021889812006607 ] Introduction to Nonlinear OpticsOnline 31 March 2012 
J. Appl. Cryst. (2012). 45, 614620 forthcoming meetings and short courses 
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