Forthcoming article in Acta Crystallographica Section A Foundations and Advances
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Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination by diffraction methods using X-rays, neutrons and electrons. The structures include periodic and aperiodic crystals, and non-periodic disordered materials, and the corresponding Bragg, satellite and diffuse scattering, thermal motion and symmetry aspects. Spatial resolutions range from the subatomic domain in charge-density studies to nanodimensional imperfections such as dislocations and twin walls. The chemistry encompasses metals, alloys, and inorganic, organic and biological materials. Structure prediction and properties such as the theory of phase transformations are also covered.en-gbCopyright (c) 2016 International Union of CrystallographyInternational Union of CrystallographyInternational Union of Crystallographyhttp://journals.iucr.orgurn:issn:0108-7673Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination by diffraction methods using X-rays, neutrons and electrons. The structures include periodic and aperiodic crystals, and non-periodic disordered materials, and the corresponding Bragg, satellite and diffuse scattering, thermal motion and symmetry aspects. Spatial resolutions range from the subatomic domain in charge-density studies to nanodimensional imperfections such as dislocations and twin walls. The chemistry encompasses metals, alloys, and inorganic, organic and biological materials. Structure prediction and properties such as the theory of phase transformations are also covered.text/htmlActa Crystallographica Section A Foundations and Advancestextdaily12002-01-01T00:00+00:00med@iucr.orgActa Crystallographica Section A Foundations and AdvancesCopyright (c) 2016 International Union of Crystallographyurn:issn:0108-7673Forthcoming article in Acta Crystallographica Section A Foundations and Advanceshttp://journals.iucr.org/logos/rss10a.gif
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Still imageThe crystallographic chameleon: when space groups change skin
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This paper describes alternative settings of space groups: what they are, why they can be useful and how to obtain them.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Nespolo and Aroyodoi:10.1107/S2053273316009293International Union of CrystallographyThis paper describes alternative settings of space groups: what they are, why they can be useful and how to obtain them.enSPACE GROUPS; AXIAL SETTING; HERMANN-MAUGUIN SYMBOLSThis paper describes alternative settings of space groups: what they are, why they can be useful and how to obtain them.text/htmlThe crystallographic chameleon: when space groups change skintextVolumic omit maps in ab initio dual-space phasing
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New omit maps are introduced that delete some subvolume of the unit cell without analysing the electron density. Applied as periodic perturbations these significantly improve the stagnating behaviour of alternating-projection-type dual-space algorithms.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Oszlányi and Sütődoi:10.1107/S2053273316008846International Union of CrystallographyNew omit maps are introduced that delete some subvolume of the unit cell without analysing the electron density. Applied as periodic perturbations these significantly improve the stagnating behaviour of alternating-projection-type dual-space algorithms.enOMIT MAPS; ITERATIVE PROJECTION ALGORITHMS; DUAL-SPACE METHODS; STRUCTURE DETERMINATIONNew omit maps are introduced that delete some subvolume of the unit cell without analysing the electron density. Applied as periodic perturbations these significantly improve the stagnating behaviour of alternating-projection-type dual-space algorithms.text/htmlVolumic omit maps in ab initio dual-space phasingtextFrequency analysis for modulation-enhanced powder diffraction
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A periodic modulation of experimental conditions would affect both intensities and Bragg angles for the diffraction lines. A frequency response (a series of harmonics) has been derived analytically and compared with a simulated modulation experiment.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Dmitry Chernyshov et al.doi:10.1107/S2053273316008378International Union of CrystallographyA periodic modulation of experimental conditions would affect both intensities and Bragg angles for the diffraction lines. A frequency response (a series of harmonics) has been derived analytically and compared with a simulated modulation experiment.enPLEASE PROVIDE KEYWORDSA periodic modulation of experimental conditions would affect both intensities and Bragg angles for the diffraction lines. A frequency response (a series of harmonics) has been derived analytically and compared with a simulated modulation experiment.text/htmlFrequency analysis for modulation-enhanced powder diffractiontextCoherent diffraction imaging: consistency of the assembled three-dimensional distribution
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In coherent diffraction experiments many diffraction images of randomly oriented particles are recorded and assembled into a three-dimensional scattering intensity distribution. In this paper a method is presented to test the consistency of the assembled three-dimensional distribution.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Tegze and Borteldoi:10.1107/S2053273316008366International Union of CrystallographyIn coherent diffraction experiments many diffraction images of randomly oriented particles are recorded and assembled into a three-dimensional scattering intensity distribution. In this paper a method is presented to test the consistency of the assembled three-dimensional distribution.enSINGLE-PARTICLE IMAGING; COHERENT DIFFRACTION IMAGING; X-RAY FREE-ELECTRON LASERS; XFELS; ORIENTATIONIn coherent diffraction experiments many diffraction images of randomly oriented particles are recorded and assembled into a three-dimensional scattering intensity distribution. In this paper a method is presented to test the consistency of the assembled three-dimensional distribution.text/htmlCoherent diffraction imaging: consistency of the assembled three-dimensional distributiontextDynamical focusing by bent, asymmetrically cut perfect crystals in Laue geometry
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The focusing performances of bent Laue crystals are shown to be strongly sensitive to a small degree of asymmetry.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Guigay and Ferrerodoi:10.1107/S2053273316006549International Union of CrystallographyThe focusing performances of bent Laue crystals are shown to be strongly sensitive to a small degree of asymmetry.enINFLUENCE FUNCTIONS; DYNAMICAL FOCUSING; BENT PERFECT CRYSTALS; LAUE ASYMMETRIC GEOMETRYThe focusing performances of bent Laue crystals are shown to be strongly sensitive to a small degree of asymmetry.text/htmlDynamical focusing by bent, asymmetrically cut perfect crystals in Laue geometrytextProperties of X-ray resonant scattering in the Bragg case revealed on the Riemann surface
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Properties of X-ray resonant scattering in the Bragg case are revealed analytically using the Riemann surface.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Takashi Sakadoi:10.1107/S2053273316005404International Union of CrystallographyProperties of X-ray resonant scattering in the Bragg case are revealed analytically using the Riemann surface.enX-RAY DIFFRACTION; DYNAMICAL THEORY; BRAGG CASE; RIEMANN SURFACE; DISPERSION SURFACE; ROCKING CURVE; RESONANT SCATTERINGProperties of X-ray resonant scattering in the Bragg case are revealed analytically using the Riemann surface.text/htmlProperties of X-ray resonant scattering in the Bragg case revealed on the Riemann surfacetextFaces of root polytopes in all dimensions
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The reflection group W can be specified by a connected Coxeter–Dynkin diagram consisting of either one or two orbits of W. An individual orbit is viewed as the set of vertices of a polytope (root polytope) generated by its W from any one point of the orbit.Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Marzena Szajewskadoi:10.1107/S2053273316004551International Union of CrystallographyThe reflection group W can be specified by a connected Coxeter–Dynkin diagram consisting of either one or two orbits of W. An individual orbit is viewed as the set of vertices of a polytope (root polytope) generated by its W from any one point of the orbit.enFINITE COXETER GROUPS; ROOT POLYTOPES; LIE GROUPS; LIE ALGEBRAThe reflection group W can be specified by a connected Coxeter–Dynkin diagram consisting of either one or two orbits of W. An individual orbit is viewed as the set of vertices of a polytope (root polytope) generated by its W from any one point of the orbit.text/htmlFaces of root polytopes in all dimensionstextPerspectives in Crystallography. By John R. Helliwell. CRC Press, 2016. Hardback, Pp. xv + 155. Price GBP 75.65. ISBN 978-1-4987-3210-9.
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Copyright (c) 2016 International Union of Crystallographyurn:issn:2053-2733Giovanni Ferrarisdoi:10.1107/S2053273316003831International Union of CrystallographyenBOOK REVIEW; BIOCRYSTALLOGRAPHY; SYNCHROTRON RADIATIONtext/htmlPerspectives in Crystallography. By John R. Helliwell. CRC Press, 2016. Hardback, Pp. xv + 155. Price GBP 75.65. ISBN 978-1-4987-3210-9.text