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With this ®rst issue of Volume 33, the Journal of Applied Crystallography changes its format and overall appearance to adopt a more modern look and layout ± in line with the other journals of the IUCr. Since mid-1999, all these journals have been available on-line. The use of modern electronic means of submission, production, checking and dissemination not only saves time but also offers new possibilities for the presentation of scienti®c results. While the refereeing process will, at least for a while, require paper copies in most cases, authors are invited to submit an electronic copy of the ®nal, accepted version of their manuscript on diskette or directly to Chester via electronic dataways. That the editorial responsibility for the Journal of Applied Crystallography changed in 1999 as well, is a mere coincidence. Michael Glazer who had been in charge for over nine years and not only kept up the high scienti®c standards of the journal but also introduced a number of innovations, retired as Editor in mid-1999 to concentrate on other activities, continuing some to the bene®t of the IUCr. His outstanding service to the crystallographic community will be an example and guideline to the new editor (who has in various ways been involved in the journal's activities for over twenty years). Certain aspects, however, will not change. The Journal of Applied Crystallography will continue to cover all crystallographic topics related to applied sciences, from the viewpoints of both techniques and theory, in the form of original Research Papers and occasional (invited) Lead Articles, together with Short Communications and Fast Communications. Crystallographic Computer Programs are also accepted. The variety of other sections will continue serving crystallographers and scientists using crystallographic methods in almost all countries of the world. The high scienti®c standards for which the Journal of Applied Crystallography is known will also be maintained. The expertise of the Co-editors and of the many anonymous Referees who continue to assess papers for this journal with exceptional skill and expedience will assure continuity in quality and originality of the material published. Constructive interaction between authors and referees is the essential part of making a good journal. It is a pleasure to see that this interaction, despite the increasing burden many experts have to face in view of the `publication explosion', is still working and leading to substantial improvements in many presentations (even if most authors do not explicitly thank the referees). There are good reasons to hope and wish that this process of quality assurance be kept alive, and all those actively contributing to it deserve very special thanks. Applied Crystallography Online
This issue marks my retirement as Editor of the Journal of Applied Crystallography, a task I accepted in 1999. I will from now on concentrate on my work as Editor-in-chief of the IUCr Journals. It is a pleasure to welcome Professor Anke R. Pyzalla as the new Editor of Journal of Applied Crystallography. Professor Pyzalla is a director of the Max-Planck-Institut fur Eisenforschung, Dusseldorf, Germany. Professor Pyzalla is experienced in editorial matters, and her research covers the analysis of microstructure by diffraction methods and electron microscopy; texture and residual stress analyses in structural components; characterization and optimization of welds; and steel metallurgy. I am convinced that together with our committed team of Co-editors, Professor Pyzalla will assure continued top performance and success of Journal of Applied Crystallography, one of the most highly cited crystallography journals and, according to a recent analysis (http://www.eigenfactor.org), ranked number one in terms of cost-effectiveness in its field. With all good wishes to our new Editor.
The Journal of Applied Crystallography is concerned with methods, apparatus, problems and discoveries in applied crystallography.It is intended to meet the needs of those scientists in governmental, industrial, and university research laboratories who use crystallographic techniques, especially diffraction methods, to study materials and to control their quality.Papers are accepted on such topics as the applications of crystallographic techniques to analytical problems, to metallography, to chemistry (with the exception of structure determinations), to solid state physics (degree of order, imperfections, etc.), to the determination of lattice parameters, crystallite size, strain, etc., to the study of crystalline orientation and texture, and to studies of fibrous, partly crystalline, amorphous, and liquid materials.Papers are welcome on instrumentation, experimental techniques, crystallographic aids, computer programs, specimen preparation, crystal growth, etc., and on crystallographic applications of other techniques (electron microscopy, electron microprobe, spectroscopy, etc.).The checklist below is given for the convenience of
The Executive Committee of the International Union of Crystallography has found it necessary to increase the yearly subscription rates and also the prices of back numbers for Acta Crystallographica and Journal of Applied Crystallography as from 1 January 1978.Every endeavour has been made to keep these increases to a minimum
Average publication times have decreased from 5.2 to 4.3 months, but the impact factor has remained at around 2. Reflecting the current surge in methods development, Acta D has published many important methodological papers in the past 3 years, both in regular issues and in the special issues dedicated to the standout CCP4 study weekend series. The number of structural papers has remained steady at about 10 per issue, but the number of crystallization papers has increased to the point where they constitute 60% of papers in the journal. From 2005, however, these will be published in the allelectronic sister journal Acta F. Acta D will then focus on crystallographic methods and new protein structures, aiming to attract more high profile structural papers, and will seek to increase the number of topical reviews and commentaries.
The Journal of Applied Crystallography is concerned with the application of crystallography and crystallographic techniques, other than crystal structure determination, and with the apparatus, techniques and other factors involved.
Although the name suggests a focus on crystallography, Journal of Applied Crystallography has served a broad interdisciplinary readership ever since its conception, and the very first paper published was a paper on electron microscopy [Heidenreich, Hess & Ban, A test object and criteria for high resolution electron microscopy
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Every effort has been made to keep these increases to a minimum.
In the 60 years since its birth in 1948, the number of journals published by the International Union of Crystallography has risen from one to eight. A brief account of the history of the forerunner of the IUCr journals, Zeitschrift für Kristallographie, is given. The context of the birth of the IUCr and the first of its journals, Acta Crystallographica, is recalled. The circumstances which led to the growth of Acta into several sections, at first A and B then, successively, C, D, E and F, and the launch of two new journals, the Journal of Applied Crystallography and the Journal of Synchrotron Radiation, are described. The transition from print-on-paper to electronic journals is also remembered.
This book provides a treatment of theories and applications in the rapidly expanding field of the crystallography of modular materials. Molecules are the natural modules from which molecular crystalline structures are built. In recent years, the attention has been focused on complex modules as the basis for a systematic description of polytypes and homologous/polysomatic series (modular structures). This representation is applied to the modelling of unknown structures and understanding nanoscale defects and intergrowths in materials. The Order/Disorder (OD) theory is fundamental to developing a systematic theory of polytypism, dealing with those structures based on both ordered and disordered stacking of one or more layers. Twinning at both unit cell and microscale, together with disorder, causes many problems to the determination of crystal structures. The book develops the theory of twinning with the inclusion of worked examples. In spite of the increasing use of the concepts of modular crystallography for characterizing, understanding, and tailoring technological crystalline materials, this book offers a unified treatment of the results, which are spread across many different journal and papers published over the last twenty years.
The outstanding success of structural biology within the last two decades is closely related to the development and evolution of macromolecular crystallography (MX) beamlines. Indeed, many of today's synchrotron-based MX experimental sessions aim for fast but rigorous evaluations and data collections from very large numbers of samples [1 A. Joachimiak, Current Opinion in Structural Biology 19, 573–584 (2009).[Crossref], [PubMed], [Web of Science ®] , [Google Scholar]–7 R. L. Owen, Archives of Biochemistry and Biophysics 602, 21–31 (2016).[Crossref], [PubMed], [Web of Science ®] , [Google Scholar]]. To facilitate this, sample changing on most MX beamlines is now carried out by robots and the centering of a crystal in the X-ray beam to micrometer precision is now automatically performed using either optical or diffraction-based techniques [8 D. Nurizzo, Acta Cryst. D 72, 966–975 (2016).[Crossref] , [Google Scholar]]. Once a crystal is centered, users have a wide array of options at their disposal to prepare any given experiment. This includes: X-ray fluorescence (XRF) [9 G. A. Leonard, Journal of Applied Crystallography 42, 333–335 (2009).[Crossref], [Web of Science ®] , [Google Scholar]] analysis to confirm the presence of anomalous scatterers in crystals; X-ray absorption near-edge scans (XANES) to determine the best X-ray wavelengths for MAD/SAD data collection [10 W. A. Hendrickson, Methods Enzymol. 276, 494–523 (1997).[Crossref], [PubMed], [Web of Science ®] , [Google Scholar]]; and the probing of the diffraction properties of crystals to determine the best crystal, or area of a crystal [11 M. W. Bowler, Acta Cryst. D 66, 855–864 (2010).[Crossref], [PubMed], [Web of Science ®] , [Google Scholar]], for data collection. All of these operations are now also automated, as is the collection of the final diffraction data set either from single or multiple crystals and the subsequent data analysis and reduction.
In 2008, the Journal of Applied Crystallography celebrates its 40th year of publication. It continues to be a broad international forum for the comprehensive coverage of all topics related to the application of crystallographic methods in all branches of the natural sciences. Articles focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. The last triennium has seen the retirement of Gernot Kostorz as Editor after eight years of service and the appointment of Anke Pyzalla as new Editor in mid-2007. The journal published over 600 papers on nearly 3900 pages during the triennium, and enjoyed a high impact factor which peaked at 5.2. An overview of subject areas of significance will be given, and ideas for the future development of the journal will be discussed.
It is now one year since all International Union of Crystallography (IUCr) journals became online only, and this is just one of the developments during the International Year of Crystallography, IYCr 2014. Perhaps most conspicuously, IUCr's new flagship journal, IUCrJ, a fully open access journal, has now completed its first year. Readers should also note the upcoming launch of the new IUCr Journals web site. The web pages for each journal will in future cover more recent news items and highlighted articles, as well as noting most cited recent papers etc. Announcements will also appear here more regularly (and on the main IUCr home page) for upcoming special issues and other topics of interest. Other changes and ongoing developments are more specific to Journal of Applied Crystallography (JAC), and it is now time to share some of these with you.
Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)
The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and signi®cant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. Cryst. (1985). 18, 189± 190] and on the World Wide Web at http://www.iucr. org/journals/jac/software/. Lists of software presented and/or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.