http://journals.iucr.org/j/journalhomepage.html Journal of Applied Crystallography covers a wide range of crystallographic topics from the viewpoints of both techniques and theory. The journal presents papers on the application of crystallographic techniques and on the related apparatus and computer software. For many years, the Journal of Applied Crystallography has been the main vehicle for the publication of small-angle scattering papers and powder diffraction techniques. The journal is the primary place where crystallographic computer program information is published. en-gb Copyright (c) 2012 International Union of Crystallography International Union of Crystallography International Union of Crystallography http://journals.iucr.org urn:issn:0021-8898 Journal of Applied Crystallography covers a wide range of crystallographic topics from the viewpoints of both techniques and theory. The journal presents papers on the application of crystallographic techniques and on the related apparatus and computer software. For many years, the Journal of Applied Crystallography has been the main vehicle for the publication of small-angle scattering papers and powder diffraction techniques. The journal is the primary place where crystallographic computer program information is published. text/html Journal of Applied Crystallography text daily 1 2002-02-01T00:00+00:00 med@iucr.org Journal of Applied Crystallography Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 http://journals.iucr.org/logos/rss10j.gif http://journals.iucr.org/j/journalhomepage.html Still image http://journals.iucr.org/j/services/forthcoming.html#he5549 A simple and robust instrument overcomes the crystal settling that impairs serial femtosecond crystallography experiments. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Lukas Lomb et al. doi: International Union of Crystallography A simple and robust instrument overcomes the crystal settling that impairs serial femtosecond crystallography experiments. en ; ; ; A simple and robust instrument overcomes the crystal settling that impairs serial femtosecond crystallography experiments. text/html An Anti-Settling Sample Delivery Instrument for Serial Femtosecond Crystallography text http://journals.iucr.org/j/services/forthcoming.html#he5555 A cryocrystallographic mounting method using a fine-needle capillary is suitable for protein microcrystals. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Masatomo Makino et al. doi: International Union of Crystallography A cryocrystallographic mounting method using a fine-needle capillary is suitable for protein microcrystals. en ; ; ; A cryocrystallographic mounting method using a fine-needle capillary is suitable for protein microcrystals. text/html Fine-needle capillary mounting for protein microcrystals text http://journals.iucr.org/j/services/forthcoming.html#rg5010 Structural relaxations in a molecular glass former were probed by X-ray photon correlation spectroscopy (XPCS). The time-dependent intermediate scattering function was calculated using a novel event correlation algorithm that takes both single and multiple photon events into account. The event correlation scheme was compared to the standard multi-speckle XPCS technique and proved to be both accurate and computer efficient. The described event correlator is particularly useful for measuring dynamics in weakly scattering systems and when large amounts of data need to be analyzed. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Y. Chushkin et al. doi: International Union of Crystallography Structural relaxations in a molecular glass former were probed by X-ray photon correlation spectroscopy (XPCS). The time-dependent intermediate scattering function was calculated using a novel event correlation algorithm that takes both single and multiple photon events into account. The event correlation scheme was compared to the standard multi-speckle XPCS technique and proved to be both accurate and computer efficient. The described event correlator is particularly useful for measuring dynamics in weakly scattering systems and when large amounts of data need to be analyzed. en ; ; ; Structural relaxations in a molecular glass former were probed by X-ray photon correlation spectroscopy (XPCS). The time-dependent intermediate scattering function was calculated using a novel event correlation algorithm that takes both single and multiple photon events into account. The event correlation scheme was compared to the standard multi-speckle XPCS technique and proved to be both accurate and computer efficient. The described event correlator is particularly useful for measuring dynamics in weakly scattering systems and when large amounts of data need to be analyzed. text/html A novel event correlation scheme for X-ray photon correlation spectroscopy text http://journals.iucr.org/j/services/forthcoming.html#nb5017 Selected area electron diffraction (SAED) patterns along the main pseudo-cubic axes, which show a splitting of reflections, are calculated for tetragonal and rhombohedral distortions present around the morphotropic phase boundary of PbZr1−xTixO3 (PZT). If a defined splitting is observed it might be used to estimate the lattice distortion, although for a detailed analysis, especially to distinguish the monoclinic phase, convergent-beam electron diffraction is required. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Schierholz and Fuess doi:10.1107/S0021889812022583 International Union of Crystallography Selected area electron diffraction (SAED) patterns along the main pseudo-cubic axes, which show a splitting of reflections, are calculated for tetragonal and rhombohedral distortions present around the morphotropic phase boundary of PbZr1−xTixO3 (PZT). If a defined splitting is observed it might be used to estimate the lattice distortion, although for a detailed analysis, especially to distinguish the monoclinic phase, convergent-beam electron diffraction is required. en FERROELECTRIC DOMAINS; PZT CERAMICS; MORPHOTROPIC PHASE BOUNDARIES; SELECTED AREA ELECTRON DIFFRACTION Selected area electron diffraction (SAED) patterns along the main pseudo-cubic axes, which show a splitting of reflections, are calculated for tetragonal and rhombohedral distortions present around the morphotropic phase boundary of PbZr1−xTixO3 (PZT). If a defined splitting is observed it might be used to estimate the lattice distortion, although for a detailed analysis, especially to distinguish the monoclinic phase, convergent-beam electron diffraction is required. text/html Ferroelectric domains in PZT ceramics at the morphotropic phase boundary. Can the splitting of reflections in SAED patterns be used for the distinction of different pseudo-cubic phases? text http://journals.iucr.org/j/services/forthcoming.html#pf0098 Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 doi:10.1107/S0021889812021139 International Union of Crystallography en BOOK RECEIVED text/html Nonlinear Mechanics of Crystals. By John D. Clayton. Pp. 700. Dordrecht, Heidelberg, London, New York: Springer, 2011. Price (hardcover) Euros 169.95. ISBN-978-94-007-0349-0. text http://journals.iucr.org/j/services/forthcoming.html#he5554 The interactive powder diffraction software DAJUST for whole-pattern matching, space group determination and extraction of integrated intensities is described. The resulting intensity data files are compatible with the XLENS (Patterson function direct methods) and TALP (direct-space multisolution methods) programs of the authors' laboratory (ICMAB, CSIC). Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Oriol Vallcorba et al. doi: International Union of Crystallography The interactive powder diffraction software DAJUST for whole-pattern matching, space group determination and extraction of integrated intensities is described. The resulting intensity data files are compatible with the XLENS (Patterson function direct methods) and TALP (direct-space multisolution methods) programs of the authors' laboratory (ICMAB, CSIC). en POWDER DIFFRACTION; PATTERN MATCHING; INTENSITY EXTRACTION; DAJUST The interactive powder diffraction software DAJUST for whole-pattern matching, space group determination and extraction of integrated intensities is described. The resulting intensity data files are compatible with the XLENS (Patterson function direct methods) and TALP (direct-space multisolution methods) programs of the authors' laboratory (ICMAB, CSIC). text/html DAJUST, a suite of computer programs for pattern matching, space group determination and intensity extraction from powder diffraction data text http://journals.iucr.org/j/services/forthcoming.html#aj5187 The anomalous small-angle X-ray scattering technique is applied to determine quantitative information about the structure and composition of magnetic nanoparticles and their environment in silicate glasses. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Vikram Singh Raghuwanshi et al. doi:10.1107/S002188981202064X International Union of Crystallography The anomalous small-angle X-ray scattering technique is applied to determine quantitative information about the structure and composition of magnetic nanoparticles and their environment in silicate glasses. en GLASSES; NANOSTRUCTURE; NANOCRYSTALLIZATION; SMALL-ANGLE X-RAY SCATTERING; ANOMALOUS SMALL-ANGLE X-RAY SCATTERING The anomalous small-angle X-ray scattering technique is applied to determine quantitative information about the structure and composition of magnetic nanoparticles and their environment in silicate glasses. text/html Structural analysis of magnetic nanocrystals embedded in silicate glasses by anomalous small-angle X-ray scattering text http://journals.iucr.org/j/services/forthcoming.html#kk5097 Small-angle scattering profiles of mesoporous materials are measured in absolute units and quantitatively compared with calculated profiles. This treatment allows the determination of the mesoporous specific surface of these materials without resorting to gas adsorption measurements. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Cambedouzou and Diat doi:10.1107/S0021889812020298 International Union of Crystallography Small-angle scattering profiles of mesoporous materials are measured in absolute units and quantitatively compared with calculated profiles. This treatment allows the determination of the mesoporous specific surface of these materials without resorting to gas adsorption measurements. en MESOPORES; SBA-15; MCM-41; SPECIFIC SURFACES; SMALL-ANGLE SCATTERING Small-angle scattering profiles of mesoporous materials are measured in absolute units and quantitatively compared with calculated profiles. This treatment allows the determination of the mesoporous specific surface of these materials without resorting to gas adsorption measurements. text/html Quantitative small-angle scattering on mesoporous silica powders: from morphological features to specific surface estimation text http://journals.iucr.org/j/services/forthcoming.html#kk5107 The common misinterpretation of a special orbit in centrosymmetric space groups as a general orbit in a polar subgroup is pointed out through some of the examples in IUCr Teaching Pamphlet No. 14, and an alternative interpretation is given. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Suescun and Nespolo doi:10.1107/S002188981201998X International Union of Crystallography The common misinterpretation of a special orbit in centrosymmetric space groups as a general orbit in a polar subgroup is pointed out through some of the examples in IUCr Teaching Pamphlet No. 14, and an alternative interpretation is given. en SPACE GROUPS; EIGENSYMMETRIES; CRYSTALLOGRAPHIC ORBITS; IUCR TEACHING PAMPHLET NO. 14 The common misinterpretation of a special orbit in centrosymmetric space groups as a general orbit in a polar subgroup is pointed out through some of the examples in IUCr Teaching Pamphlet No. 14, and an alternative interpretation is given. text/html From patterns to space groups and the eigen­symmetry of crystallographic orbits: a reinterpretation of some symmetry diagrams in IUCr Teaching Pamphlet No. 14 text http://journals.iucr.org/j/services/forthcoming.html#mn5008 Techniques used to cryocool large protein crystals (1–5 mm3) successfully are described. High-resolution cryo-neutron crystallography data were collected at 15 K for three test systems. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Dean A. A. Myles et al. doi:10.1107/S0021889812019784 International Union of Crystallography Techniques used to cryocool large protein crystals (1–5 mm3) successfully are described. High-resolution cryo-neutron crystallography data were collected at 15 K for three test systems. en NEUTRON PROTEIN CRYSTALLOGRAPHY; FLASH COOLING; CRYOCRYSTALLOGRAPHY Techniques used to cryocool large protein crystals (1–5 mm3) successfully are described. High-resolution cryo-neutron crystallography data were collected at 15 K for three test systems. text/html Neutron protein crystallography at ultra-low (<15 K) temperatures text http://journals.iucr.org/j/services/forthcoming.html#ce5136 A new method for recovering atom positions missing in a structure model obtained at the end of the ab initio solution process has been developed. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Angela Altomare et al. doi:10.1107/S002188981201953X International Union of Crystallography A new method for recovering atom positions missing in a structure model obtained at the end of the ab initio solution process has been developed. en CRYSTAL STRUCTURE SOLUTION; POWDER DIFFRACTION; STRUCTURE MODEL OPTIMIZATION; COVMAP; EXPO A new method for recovering atom positions missing in a structure model obtained at the end of the ab initio solution process has been developed. text/html COVMAP: a new algorithm for structure model optimization in the EXPO package text http://journals.iucr.org/j/services/forthcoming.html#ce5132 X-ray photons with energy higher than usual improve both the number and the quality of diffraction data from a given macromolecular crystal. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Roger Fourme et al. doi:10.1107/S0021889812019164 International Union of Crystallography X-ray photons with energy higher than usual improve both the number and the quality of diffraction data from a given macromolecular crystal. en MACROMOLECULAR CRYSTALLOGRAPHY; RADIATION DAMAGE; SHORT WAVELENGTHS X-ray photons with energy higher than usual improve both the number and the quality of diffraction data from a given macromolecular crystal. text/html Reduction of radiation damage and other benefits of short wavelengths for macromolecular crystallography data collection text http://journals.iucr.org/j/services/forthcoming.html#to5015 A computer program is reported for the structure solution of extended inorganic frameworks in real space. The space group and cell parameters are the basic inputs required by this program. Prior chemical and crystallographic knowledge can significantly enhance its computation efficiency. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Li, Yu and Xu doi:10.1107/S002188981201878X International Union of Crystallography A computer program is reported for the structure solution of extended inorganic frameworks in real space. The space group and cell parameters are the basic inputs required by this program. Prior chemical and crystallographic knowledge can significantly enhance its computation efficiency. en STRUCTURE SOLUTION; REAL SPACE; GLOBAL OPTIMIZATION; EXTENDED INORGANIC FRAMEWORKS; COMPUTER PROGRAMS; FRAGEN A computer program is reported for the structure solution of extended inorganic frameworks in real space. The space group and cell parameters are the basic inputs required by this program. Prior chemical and crystallographic knowledge can significantly enhance its computation efficiency. text/html FraGen: a computer program for real-space structure solution of extended inorganic frameworks text http://journals.iucr.org/j/services/forthcoming.html#nb5018 Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Xiaojing Huang et al. doi:10.1107/S0021889812018900 International Union of Crystallography en THREE-DIMENSIONAL QUANTITATIVE IMAGING; COHERENT DIFFRACTION IMAGING; PTYCHOGRAPHY; ZINC OXIDE text/html Three-dimensional Bragg coherent diffraction imaging of an extended ZnO crystal text http://journals.iucr.org/j/services/forthcoming.html#fs5012 The different Zeeman energy effects in neutron reflectivity experiments and their incidence [influence?] on beam splitting are reviewed. The representation of Zeeman splitting data in several coordinate systems is discussed, and the use of such data to directly extract information on magnetic thin-film systems is examined. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Sergey Kozhevnikov et al. doi:10.1107/S0021889812018043 International Union of Crystallography The different Zeeman energy effects in neutron reflectivity experiments and their incidence [influence?] on beam splitting are reviewed. The representation of Zeeman splitting data in several coordinate systems is discussed, and the use of such data to directly extract information on magnetic thin-film systems is examined. en NEUTRON REFLECTIVITY; ZEEMAN ENERGY; BEAM SPLITTING; MAGNETIC LAYERS; OFF-SPECULAR SCATTERING The different Zeeman energy effects in neutron reflectivity experiments and their incidence [influence?] on beam splitting are reviewed. The representation of Zeeman splitting data in several coordinate systems is discussed, and the use of such data to directly extract information on magnetic thin-film systems is examined. text/html Data representations of Zeeman spatial beam splitting in polarized neutron reflectometry text http://journals.iucr.org/j/services/forthcoming.html#to5013 Atomic selectivity in X-ray diffraction has been achieved by varying the X-ray energy, and thus the resonant scattering contributions, using the recently proposed modulation enhanced diffraction approach. A general experimental recipe is given, and possible schemes for data analysis are introduced, tested and discussed. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 Wouter van Beek et al. doi:10.1107/S0021889812018109 International Union of Crystallography Atomic selectivity in X-ray diffraction has been achieved by varying the X-ray energy, and thus the resonant scattering contributions, using the recently proposed modulation enhanced diffraction approach. A general experimental recipe is given, and possible schemes for data analysis are introduced, tested and discussed. en MODULATION ENHANCED DIFFRACTION; POWDER DIFFRACTION; INTERFERENCE; RESONANT SCATTERING Atomic selectivity in X-ray diffraction has been achieved by varying the X-ray energy, and thus the resonant scattering contributions, using the recently proposed modulation enhanced diffraction approach. A general experimental recipe is given, and possible schemes for data analysis are introduced, tested and discussed. text/html Untangling diffraction intensity: modulation enhanced diffraction on ZrO2 powder text http://journals.iucr.org/j/services/forthcoming.html#ks5311 A large and unidirectional single crystal of technologically important l-arginine phosphate monohydrate has been grown for the first time by the recently invented Sankaranarayanan–Ramasamy method. The crystalline perfection, and the mechanical and dielectric properties have been assessed and correlated. Copyright (c) 2012 International Union of Crystallography urn:issn:0021-8898 B. Riscob et al. doi:10.1107/S0021889812016822 International Union of Crystallography A large and unidirectional single crystal of technologically important l-arginine phosphate monohydrate has been grown for the first time by the recently invented Sankaranarayanan–Ramasamy method. The crystalline perfection, and the mechanical and dielectric properties have been assessed and correlated. en CRYSTAL GROWTH; HIGH-RESOLUTION X-RAY DIFFRACTOMETRY; ROCKING CURVES; DIELECTRIC PROPERTIES A large and unidirectional single crystal of technologically important l-arginine phosphate monohydrate has been grown for the first time by the recently invented Sankaranarayanan–Ramasamy method. The crystalline perfection, and the mechanical and dielectric properties have been assessed and correlated. text/html Unidirectional crystal growth and crystalline perfection of l-arginine phosphate monohydrate text