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Re: [dddwg] All set for 2015 DDDWG Workshop
- To: IUCr Working Group on Diffraction data Deposition <dddwg@iucr.org>
- Subject: Re: [dddwg] All set for 2015 DDDWG Workshop
- From: "Mercier, Patrick" <Patrick.Mercier@nrc-cnrc.gc.ca>
- Date: Thu, 20 Aug 2015 02:07:29 -0700
- Accept-Language: fr-FR, en-US
- acceptlanguage: fr-FR, en-US
- In-Reply-To: <20150820090548.GA5143@emerald.iucr.org>
- References: <20150820084541.GA3915@emerald.iucr.org><CAJz_nL1CbEFBJuh3SvqtpPJ-wK5h-qNKbmctcd42LtaWPa5c6w@mail.gmail.com><20150820090548.GA5143@emerald.iucr.org>
That will be great! Many thanks Brian, -Patrick __________________________________________________________ Patrick H.J. Mercier, Ph.D. Senior Research Officer—Energy, Mining and Environment National Research Council Canada | Government of Canada patrick.mercier@nrc-cnrc.gc.ca Tel. 613-993-7752 -----Original Message----- From: dddwg [mailto:dddwg-bounces@iucr.org] On Behalf Of Brian McMahon Sent: August-20-15 5:06 AM To: IUCr Working Group on Diffraction data Deposition Subject: Re: [dddwg] All set for 2015 DDDWG Workshop Yes, it is the intention to provide the recordings after the event, in a style similar to that used in the Warwick meeting. It may take a week or two to get them in place. Brian On Thu, Aug 20, 2015 at 06:55:38PM +1000, Mitchell Guss wrote: > Dear Brian, > > I shall be flying when the workshop is broadcast. Will a recording be > available for later viewing? > > All the best, > > Mitchell > > Professor Emeritus Mitchell Guss > School of Molecular Bioscience > Building G08 > University of Sydney > NSW 2006 > Australia > > Phone:+61 (0)2 9351 4302 > Fax: +61 (0)2 9351 5858 > > On 20 August 2015 at 18:45, Brian McMahon <bm@iucr.org> wrote: > >> This is just a brief note to remind all subscribers to the DDDWG list >> of the Workshop this weekend at ECM29. Thanks to the generous support >> of a number of sponsors, we're able to broadcast this as a live >> webfeed; so, even if you can't make it to Rovinj, please check out >> the full timetable at >> >> http://www.iucr.org/resources/data/dddwg/rovinj-workshop >> >> where you will also find a link to the webfeed, and join us for some >> or all of the sessions. >> >> (If you *are* attending the ECM, and haven't registered for the >> Workshop, there's stil time to do so by emailing >> registrationECM29@globtour.hr, or just come along on the day.) >> >> The theme of this year's Workshop is expressed in the Welcome notes >> for the programme, reproduced below. We have an amazing line-up of >> speakers, and this promises to be not only an enjoyable but also an >> important event of the DDDWG. >> >> WELCOME >> >> This is the second full Workshop of the IUCr Diffraction Data >> Deposition Working Group (DDDWG). It follows a very successful >> meeting in Bergen in 2012 (programme and presentations are available >> at http://www.iucr.org/resources/data/dddwg/bergen-workshop). It is >> also a natural successor to the Crystallographic Information and Data >> Management Symposium at Warwick University in 2013, amplifying and >> building on many of the topics discussed there >> (http://www.iucr.org/resources/cif/comcifs/symposium-2013). >> >> The Bergen Workshop surveyed the potential benefits of routine >> deposition of diffraction images, and explored some of the practical >> and cost implications of such a strategy. This led to a number of >> special articles published in Acta Crystallographica Section D that >> provided a detailed analysis of many of the issues involved. >> >> A meeting of the Working Group at the IUCr Congress in Montreal in >> August 2014 concluded that there were promising movements towards >> widespread deposition of raw (otherwise known as `primary') data, but >> that there were still a number of limiting factors. (1) Since there >> is no obvious single institution which will archive all >> crystallographic raw data, the initial strategy should be the >> encouragement of voluntary deposition in locations most convenient >> for authors (e.g. synchrotron and other instrument facilities, >> university and institutional repositories, domain repositories such >> as the Australian Synchrotron.Store). (2) Search and discovery >> functions across diverse locations would depend on common metadata >> identifying and describing data sets. The obvious candidate for an >> identifier is the Digital Object Identifier (DOI), because of the >> existing machinery to register and share DOI information. (3) Because >> molecular/atomic structural studies increasingly rely on a range of >> technologies and techniques, it would be desirable to harmonise >> metadata descriptions across as many such technologies as possible. >> Studying the `arrangement of atoms' in its most general sense - as >> well as diffraction, spectroscopy and microscopy - has long been >> recognized as fitting within the remit of the IUCr. >> >> While `metadata' enters the discussion in the context of building >> distributed systems for search/discover, identification and retrieval >> of data sets, it rapidly becomes apparent that there is much more to >> metadata than that. `Metadata' is variously defined, but the general >> sense is that it is the information that is needed to make sense of >> data, to allow its reuse, validation and critical analysis. Yet such >> `information' is itself data - data that collectively open doors to >> further avenues of study, and even new scientific insight. Standard >> uncertainties on atomic positions modify the weights that should be >> given to structural models collected in databases, and so subtly >> affect our understanding of chemical bonding or biological function >> (e.g. in knowledge-based research using the Cambridge Structural >> Database or Protein Data Bank). The raw intensities ignored in models >> based solely on Bragg peaks (i.e. diffuse >> scattering) can now be reanalysed to provide insights into correlated >> disorder. Comparison of structural models derived from X-ray >> crystallography or from NMR can deepen understanding of protein >> structure and dynamics. Analysis of raw diffraction intensities from >> different experiments can yield examples of systematic bias (or, in >> extreme examples, dishonest practice). >> >> Overall, the richer the metadata available to the scientist, the >> greater the potential for new discoveries. Crystallography is >> exceptional in the richness and granularity of metadata descriptors >> already available, mostly in diffraction-based research, and largely >> owing to the data dictionaries developed within the Crystallographic >> Information Framework (CIF), as so clearly shown in the Warwick >> Symposium. (That said, the achievements of other research communities >> in making available their data - such as the astronomers - should >> also be recognized. Our enthusiastic participation in organisations >> such as the International Council for Science (ICSU) and its >> Committee on Data (CODATA) is vital, both to represent >> crystallography, and to learn of best practice from other research >> communities.) >> >> This two-day Workshop will survey the many uses already being made of >> crystallographic metadata, especially where associated with raw data >> capture, analysis and reuse. We will identify areas where better >> metadata descriptors are required, and we shall begin to look at the >> challenges of defining new metadata, especially in studies which do >> not have the clean, well-defined parameters of classical >> single-crystal or powder diffraction experiments. Some of the biggest >> challenges being faced are at the centralised synchrotron (and X-ray >> laser) and neutron facilities, where colossal quantities of >> diffraction, spectroscopy and especially microscopy raw data are >> being generated, and also in the databases which must organise and >> protect access to the fruits of all our researches in perpetuity. >> >> We look forward to your active participation. We are grateful to our >> sponsors, who have made possible the web streaming and video >> recording of proceedings, so that we can reach a wider audience and >> provide a permanent record of the content of these two days. We shall >> enjoy the warm-hearted hospitality of our Croatian hosts in this >> beautiful location, and to whom we are indebted for their energetic >> and efficient logistical preparations. We welcome you to Rovinj, and >> to this latest IUCr DDDWG Workshop. >> >> John Helliwell >> Brian McMahon >> _________________________________________________________________________ >> Brian McMahon tel: +44 1244 342878 >> Research and Development Officer fax: +44 1244 314888 >> International Union of Crystallography e-mail: bm@iucr.org >> 5 Abbey Square, Chester CH1 2HU, England >> >> >> _______________________________________________ >> dddwg mailing list >> dddwg@iucr.org >> http://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg _______________________________________________ dddwg mailing list dddwg@iucr.org http://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg _______________________________________________dddwg mailing listdddwg@iucr.orghttp://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg
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- [dddwg] All set for 2015 DDDWG Workshop (Brian McMahon)
- Re: [dddwg] All set for 2015 DDDWG Workshop (Mitchell Guss)
- Re: [dddwg] All set for 2015 DDDWG Workshop (Brian McMahon)
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