Durham University

New software, OLEX2 , has been developed for the determination, visualization and analysis of molecular crystal structures. The software has a portable mouse-driven workflow-oriented and fully comprehensive graphical user interface for structure solution, refinement and report generation, as well as novel tools for structure analysis. OLEX2 seamlessly links all aspects of the structure solution, refinement and publication process and presents them in a single workflow-driven package, with the ultimate goal of producing an application which will be useful to both chemists and crystallographers.

We present a full-sky 100 km map that is a reprocessed composite of the COBE/DIRBE and IRAS/ ISSA maps, with the zodiacal foreground and conrmed point sources removed. Before using the ISSA maps, we remove the remaining artifacts from the IRAS scan pattern. Using the DIRBE 100 and 240 km data, we have constructed a map of the dust temperature so that the 100 km map may be converted to a map proportional to dust column density. The dust temperature varies from 17 to 21 K, which is modest but does modify the estimate of the dust column by a factor of 5. The result of these manipulations is a map with DIRBE quality calibration and IRAS resolution. A wealth of lamentary detail is apparent on many di erent scales at all Galactic latitudes. In high-latitude regions, the dust map correlates well with maps of H I emission, but deviations are coherent in the sky and are especially conspicuous in regions of saturation of H I emission toward denser clouds and of formation of in molecular clouds. In contrast, H 2 high-velocity H I clouds are decient in dust emission, as expected.

Traffic congestion is one of the growing urban problem with associated problems like fuel wastage, loss of lives, and slow productivity. The existing traffic system uses programming logic control (PLC) with round-robin scheduling algorithm. Recent works have proposed IoT-based frameworks that use traffic density of each lane to control traffic movement, but they suffer from low accuracy due to lack of emergency vehicle image datasets for training deep neural networks. In this paper, we propose a novel distributed IoT framework that is based on two observations. The first observation is major structural changes to road are rare. This observation is exploited by proposing a novel two stage vehicle detector that is able to achieve 77% vehicle detection accuracy on UA-DETRAC dataset. The second observation is emergency vehicle have distinct siren sound that is detected using a novel acoustic detection algorithm on an edge device. The proposed system is able to detect emergency vehicles with an average accuracy of 99.4%.

Abstract The CASTEP code for first principles electronic structure calculations will be described. A brief, non-technical overview will be given and some of the features and capabilities highlighted. Some features which are unique to CASTEP will be described and near-future development plans outlined.

Journal Article Markets and Hierarchies: Analysis and Antitrust Implications Get access Markets and Hierarchies: Analysis and Antitrust Implications. By O. E. WILLIAMSON. (London: Collier-Macmillan, 1975. Pp. xvii + 286. £995.) D. P. O'Brien D. P. O'Brien University of Durham Search for other works by this author on: Oxford Academic Google Scholar The Economic Journal, Volume 86, Issue 343, 1 September 1976, Pages 619–621, https://doi.org/10.2307/2230812 Published: 01 September 1976

First-principles simulation, meaning density-functional theory calculations with plane waves and pseudopotentials, has become a prized technique in condensed-matter theory. Here I look at the basics of the suject, give a brief review of the theory, examining the strengths and weaknesses of its implementation, and illustrating some of the ways simulators approach problems through a small case study. I also discuss why and how modern software design methods have been used in writing a completely new modular version of the CASTEP code. 1. Overview The simulator builds a model of a real system and explores its behaviour. The model is a mathematical one and the exploration is done on a computer, and in many ways simulation studies share the same mentality as experimental ones. However, in a simulation there is absolute control and access to detail, the ability to compute almost any observable, and given enough computer muscle, exact answers for the model. These strengths have been exploited for

Resilience may be viewed as a measure of stress coping ability and, as such, could be an important target of treatment in anxiety, depression, and stress reactions. We describe a new rating scale to assess resilience. The Connor-Davidson Resilience scale (CD-RISC) comprises of 25 items, each rated on a 5-point scale (0–4), with higher scores reflecting greater resilience. The scale was administered to subjects in the following groups: community sample, primary care outpatients, general psychiatric outpatients, clinical trial of generalized anxiety disorder, and two clinical trials of PTSD. The reliability, validity, and factor analytic structure of the scale were evaluated, and reference scores for study samples were calculated. Sensitivity to treatment effects was examined in subjects from the PTSD clinical trials. The scale demonstrated good psychometric properties and factor analysis yielded five factors. A repeated measures ANOVA showed that an increase in CD-RISC score was associated with greater improvement during treatment. Improvement in CD-RISC score was noted in proportion to overall clinical global improvement, with greatest increase noted in subjects with the highest global improvement and deterioration in CD-RISC score in those with minimal or no global improvement. The CD-RISC has sound psychometric properties and distinguishes between those with greater and lesser resilience. The scale demonstrates that resilience is modifiable and can improve with treatment, with greater improvement corresponding to higher levels of global improvement. Depression and Anxiety 18:76–82, 2003. © 2003 Wiley-Liss, Inc.

We use high-resolution N-body simulations to study the equilibrium density profiles of dark matter halos in hierarchically clustering universes. We find that all such profiles have the same shape, independent of halo mass, of initial density fluctuation spectrum, and of the values of the cosmological parameters. Spherically averaged equilibrium profiles are well fit over two decades in radius by a simple formula originally proposed to describe the structure of galaxy clusters in a cold dark matter universe. In any particular cosmology the two scale parameters of the fit, the halo mass and its characteristic density, are strongly correlated. Low-mass halos are significantly denser than more massive systems, a correlation which reflects the higher collapse redshift of small halos. The characteristic density of an equilibrium halo is proportional to the density of the universe at the time it was assembled. A suitable definition of this assembly time allows the same proportionality constant to be used for all the cosmologies that we have tested. We compare our results to previous work on halo density profiles and show that there is good agreement. We also provide a step-by-step analytic procedure, based on the Press-Schechter formalism, which allows accurate equilibrium profiles to be calculated as a function of mass in any hierarchical model.

The Review summarizes much of particle physics and cosmology. Using data from previous editions, plus 2,873 new measurements from 758 papers, we list, evaluate, and average measured properties of gauge bosons and the recently discovered Higgs boson, leptons, quarks, mesons, and baryons. We summarize searches for hypothetical particles such as supersymmetric particles, heavy bosons, axions, dark photons, etc. Particle properties and search limits are listed in Summary Tables. We give numerous tables, figures, formulae, and reviews of topics such as Higgs Boson Physics, Supersymmetry, Grand Unified Theories, Neutrino Mixing, Dark Energy, Dark Matter, Cosmology, Particle Detectors, Colliders, Probability and Statistics. Among the 118 reviews are many that are new or heavily revised, including a new review on Neutrinos in Cosmology.Starting with this edition, the Review is divided into two volumes. Volume 1 includes the Summary Tables and all review articles. Volume 2 consists of the Particle Listings. Review articles that were previously part of the Listings are now included in volume 1.The complete Review (both volumes) is published online on the website of the Particle Data Group (http://pdg.lbl.gov) and in a journal. Volume 1 is available in print as the PDG Book. A Particle Physics Booklet with the Summary Tables and essential tables, figures, and equations from selected review articles is also available.The 2018 edition of the Review of Particle Physics should be cited as: M. Tanabashi et al. (Particle Data Group), Phys. Rev. D 98, 030001 (2018).

This article describes a revised Conflict Tactics Scales (the CTS2) to measure psychological and physical attacks on a partner in a marital, cohabiting, or dating relationship; and also use of negotiation. The CTS2 has (a) additional items to enhance content validity and reliability; (b) revised wording to increase clarity and specificity; (c) better differentiation between minor and severe levels of each scale; (d) new scales to measure sexual coercion and physical injury; and (e) a new format to simplify administration and reduce response sets. Reliability ranges from .79 to .95. There is preliminary evidence of construct validity.

Abstract The Review summarizes much of particle physics and cosmology. Using data from previous editions, plus 2,143 new measurements from 709 papers, we list, evaluate, and average measured properties of gauge bosons and the recently discovered Higgs boson, leptons, quarks, mesons, and baryons. We summarize searches for hypothetical particles such as supersymmetric particles, heavy bosons, axions, dark photons, etc. Particle properties and search limits are listed in Summary Tables. We give numerous tables, figures, formulae, and reviews of topics such as Higgs Boson Physics, Supersymmetry, Grand Unified Theories, Neutrino Mixing, Dark Energy, Dark Matter, Cosmology, Particle Detectors, Colliders, Probability and Statistics. Among the 120 reviews are many that are new or heavily revised, including a new review on Machine Learning, and one on Spectroscopy of Light Meson Resonances. The Review is divided into two volumes. Volume 1 includes the Summary Tables and 97 review articles. Volume 2 consists of the Particle Listings and contains also 23 reviews that address specific aspects of the data presented in the Listings. The complete Review (both volumes) is published online on the website of the Particle Data Group (pdg.lbl.gov) and in a journal. Volume 1 is available in print as the PDG Book. A Particle Physics Booklet with the Summary Tables and essential tables, figures, and equations from selected review articles is available in print, as a web version optimized for use on phones, and as an Android app.

Development of research on intrafamily and violence requires both conceptual clarity and measures of the concepts. The introduction to this paper therefore seeks to clarifj and distinguish the concepts of conflict, conflict of interest, hostility, and violence. The main part qf the paper describes the Conflict Tactics (CT) Scales. The CT Scales are designed to measure the use qf Reasoning, VerbalAggression, and Violence within the family. Information is presented on the following aspects of this instrument: theoretical rational, acceptability to respondents, scoring, factor structure, reliability, validity, and norms for a nationally representative sample of 2,143 couples.

This biennial Review summarizes much of particle physics. Using data from previous editions, plus 2658 new measurements from 644 papers, we list, evaluate, and average measured properties of gauge bosons, leptons, quarks, mesons, and baryons. We summarize searches for hypothetical particles such as Higgs bosons, heavy neutrinos, and supersymmetric particles. All the particle properties and search limits are listed in Summary Tables. We also give numerous tables, figures, formulae, and reviews of topics such as the Standard Model, particle detectors, probability, and statistics. Among the 112 reviews are many that are new or heavily revised including those on Heavy-Quark and Soft-Collinear Effective Theory, Neutrino Cross Section Measurements, Monte Carlo Event Generators, Lattice QCD, Heavy Quarkonium Spectroscopy, Top Quark, Dark Matter, ${V}_{\mathit{cb}}$ ${V}_{\mathit{ub}}$, Quantum Chromodynamics, High-Energy Collider Parameters, Astrophysical Constants, Cosmological Parameters, and Dark Matter.A booklet is available containing the Summary Tables and abbreviated versions of some of the other sections of this full Review. All tables, listings, and reviews (and errata) are also available on the Particle Data Group website: http://pdg.lbl.gov/.The 2012 edition of Review of Particle Physics is published for the Particle Data Group as article 010001 in volume 86 of Physical Review D.This edition should be cited as: J. Beringer et al. (Particle Data Group), Phys. Rev. D 86, 010001 (2012).

The distributions of many terrestrial organisms are currently shifting in latitude or elevation in response to changing climate. Using a meta-analysis, we estimated that the distributions of species have recently shifted to higher elevations at a median rate of 11.0 meters per decade, and to higher latitudes at a median rate of 16.9 kilometers per decade. These rates are approximately two and three times faster than previously reported. The distances moved by species are greatest in studies showing the highest levels of warming, with average latitudinal shifts being generally sufficient to track temperature changes. However, individual species vary greatly in their rates of change, suggesting that the range shift of each species depends on multiple internal species traits and external drivers of change. Rapid average shifts derive from a wide diversity of responses by individual species.

Abstract The Review summarizes much of particle physics and cosmology. Using data from previous editions, plus 3,324 new measurements from 878 papers, we list, evaluate, and average measured properties of gauge bosons and the recently discovered Higgs boson, leptons, quarks, mesons, and baryons. We summarize searches for hypothetical particles such as supersymmetric particles, heavy bosons, axions, dark photons, etc. Particle properties and search limits are listed in Summary Tables. We give numerous tables, figures, formulae, and reviews of topics such as Higgs Boson Physics, Supersymmetry, Grand Unified Theories, Neutrino Mixing, Dark Energy, Dark Matter, Cosmology, Particle Detectors, Colliders, Probability and Statistics. Among the 120 reviews are many that are new or heavily revised, including a new review on High Energy Soft QCD and Diffraction and one on the Determination of CKM Angles from B Hadrons. The Review is divided into two volumes. Volume 1 includes the Summary Tables and 98 review articles. Volume 2 consists of the Particle Listings and contains also 22 reviews that address specific aspects of the data presented in the Listings. The complete Review (both volumes) is published online on the website of the Particle Data Group (pdg.lbl.gov) and in a journal. Volume 1 is available in print as the PDG Book. A Particle Physics Booklet with the Summary Tables and essential tables, figures, and equations from selected review articles is available in print and as a web version optimized for use on phones as well as an Android app.

Full list of authors: Price-Whelan, Adrian M.; Lim, Pey Lian; Earl, Nicholas; Starkman, Nathaniel; Bradley, Larry; Shupe, David L.; Patil, Aarya A.; Corrales, Lia; Brasseur, C. E.; Noethe, Maximilian; Donath, Axel; Tollerud, Erik; Morris, Brett M.; Ginsburg, Adam; Vaher, Eero; Weaver, Benjamin A.; Tocknell, James; Jamieson, William; van Kerkwijk, Marten H.; Robitaille, Thomas P.; Merry, Bruce; Bachetti, Matteo; Gunther, H. Moritz; Aldcroft, Thomas L.; Alvarado-Montes, Jaime A.; Archibald, Anne M.; Bodi, Attila; Bapat, Shreyas; Barentsen, Geert; Bazan, Juanjo; Biswas, Manish; Boquien, Mederic; Burke, D. J.; Cara, Daria; Cara, Mihai; Conroy, Kyle E.; Conseil, Simon; Craig, Matthew W.; Cross, Robert M.; Cruz, Kelle L.; D'Eugenio, Francesco; Dencheva, Nadia; Devillepoix, Hadrien A. R.; Dietrich, Jorg P.; Eigenbrot, Arthur Davis; Erben, Thomas; Ferreira, Leonardo; Foreman-Mackey, Daniel; Fox, Ryan; Freij, Nabil; Garg, Suyog; Geda, Robel; Glattly, Lauren; Gondhalekar, Yash; Gordon, Karl D.; Grant, David; Greenfield, Perry; Groener, Austen M.; Guest, Steve; Gurovich, Sebastian; Handberg, Rasmus; Hart, Akeem; Hatfield-Dodds, Zac; Homeier, Derek; Hosseinzadeh, Griffin; Jenness, Tim; Jones, Craig K.; Joseph, Prajwel; Kalmbach, J. Bryce; Karamehmetoglu, Emir; Kaluszynski, Mikolaj; Kelley, Michael S. P.; Kern, Nicholas; Kerzendorf, Wolfgang E.; Koch, Eric W.; Kulumani, Shankar; Lee, Antony; Ly, Chun; Ma, Zhiyuan; MacBride, Conor; Maljaars, Jakob M.; Muna, Demitri; Murphy, N. A.; Norman, Henrik; O'Steen, Richard; Oman, Kyle A.; Pacifici, Camilla; Pascual, Sergio; Pascual-Granado, J.; Patil, Rohit R.; Perren, Gabriel, I; Pickering, Timothy E.; Rastogi, Tanuj; Roulston, Benjamin R.; Ryan, Daniel F.; Rykoff, Eli S.; Sabater, Jose; Sakurikar, Parikshit; Salgado, Jesus; Sanghi, Aniket; Saunders, Nicholas; Savchenko, Volodymyr; Schwardt, Ludwig; Seifert-Eckert, Michael; Shih, Albert Y.; Jain, Anany Shrey; Shukla, Gyanendra; Sick, Jonathan; Simpson, Chris; Singanamalla, Sudheesh; Singer, Leo P.; Singhal, Jaladh; Sinha, Manodeep; Sipocz, Brigitta M.; Spitler, Lee R.; Stansby, David; Streicher, Ole; Sumak, Jani; Swinbank, John D.; Taranu, Dan S.; Tewary, Nikita; Tremblay, Grant R.; De Val-Borro, Miguel; Vasovic, Zlatan; Van Kooten, Samuel J.; Verma, Shresth; Cardoso, Jose Vinicius de Miranda; Williams, Peter K. G.; Wilson, Tom J.; Winkel, Benjamin; Wood-Vasey, W. M.; Xue, Rui; Yoachim, Peter; Zhang, Chen; Zonca, Andrea; Astropy Project Contributors; TARDIS Collaboration; Astropy Coordination Comm.--This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

SUMMARY A continuous two-dimensional region is partitioned into a fine rectangular array of sites or “pixels”, each pixel having a particular “colour” belonging to a prescribed finite set. The true colouring of the region is unknown but, associated with each pixel, there is a possibly multivariate record which conveys imperfect information about its colour according to a known statistical model. The aim is to reconstruct the true scene, with the additional knowledge that pixels close together tend to have the same or similar colours. In this paper, it is assumed that the local characteristics of the true scene can be represented by a non-degenerate Markov random field. Such information can be combined with the records by Bayes' theorem and the true scene can be estimated according to standard criteria. However, the computational burden is enormous and the reconstruction may reflect undesirable large-scale properties of the random field. Thus, a simple, iterative method of reconstruction is proposed, which does not depend on these large-scale characteristics. The method is illustrated by computer simulations in which the original scene is not directly related to the assumed random field. Some complications, including parameter estimation, are discussed. Potential applications are mentioned briefly.

Abstract With the description of more and more complex one‐ and two‐dimensional NMR experiments comes the need to develop methods to make a comprehensive interpretation of the various different experiments that can be carried out on the same sample or series of related samples. We present some examples of modelling one‐ and two‐dimensional solid‐state NMR spectra of I = ½ spin and quadrupolar nuclei, using laboratory‐developed software that is made available to the NMR community. Copyright © 2001 John Wiley & Sons, Ltd.

We simulate the growth of galaxies and their central supermassive black holes by implementing a suite of semi-analytic models on the output of the Millennium Run, a very large simulation of the concordance cold dark matter cosmogony. Our procedures follow the detailed assembly history of each object and are able to track the evolution of all galaxies more massive than the Small Magellanic Cloud throughout a volume comparable to that of large modern redshift surveys. In this first paper we supplement previous treatments of the growth and activity of central black holes with a new model for 'radio' feedback from those active galactic nuclei that lie at the centre of a quasi-static X-ray-emitting atmosphere in a galaxy group or cluster. We show that for energetically and observationally plausible parameters such a model can simultaneously explain: (i) the low observed mass drop-out rate in cooling flows; (ii) the exponential cut-off at the bright end of the galaxy luminosity function; and (iii) the fact that the most massive galaxies tend to be bulge-dominated systems in clusters and to contain systematically older stars than lower mass galaxies. This success occurs because static hot atmospheres form only in the most massive structures, and radio feedback (in contrast, for example, to supernova or starburst feedback) can suppress further cooling and star formation without itself requiring star formation. We discuss possible physical models that might explain the accretion rate scalings required for our phenomenological 'radio mode' model to be successful.

We introduce the Virgo Consortium's Evolution and Assembly of GaLaxies and their Environments (EAGLE) project, a suite of hydrodynamical simulations that follow the formation of galaxies and supermassive black holes in cosmologically representative volumes of a standard cold dark matter universe. We discuss the limitations of such simulations in light of their finite resolution and poorly constrained subgrid physics, and how these affect their predictive power. One major improvement is our treatment of feedback from massive stars and active galactic nuclei (AGN) in which thermal energy is injected into the gas without the need to turn off cooling or decouple hydrodynamical forces, allowing winds to develop without predetermined speed or mass loading factors. Because the feedback efficiencies cannot be predicted from first principles, we calibrate them to the present-day galaxy stellar mass function and the amplitude of the galaxy-central black hole mass relation, also taking galaxy sizes into account. The observed galaxy stellar mass function is reproduced to 0.2 dex over the full resolved mass range, 10 8 < M * /M 10 11 , a level of agreement close to that attained by semi-analytic models, and unprecedented for hydrodynamical simulations. We compare our results to a representative set of low-redshift observables not considered in the calibration, and find good agreement with the observed galaxy specific star formation rates, passive fractions, Tully-Fisher relation, total stellar luminosities of galaxy clusters, and column density distributions of intergalactic C IV and O VI. While the mass-metallicity relations for gas and stars are consistent with observations for M * 10 9 M (M * 10 10 M at intermediate resolution), they are insufficiently steep at lower masses. For the reference model, the gas fractions and temperatures are too high for clusters of galaxies, but for galaxy groups these discrepancies can be resolved by adopting a higher heating temperature in the subgrid prescription for AGN feedback. The EAGLE simulation suite, which also includes physics variations and higher resolution zoomed-in volumes described elsewhere, constitutes a valuable new resource for studies of galaxy formation.