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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: Brian McMahon <bm@iucr.org>
- Date: Thu, 20 Aug 2015 10:05:49 +0100
- In-Reply-To: <CAJz_nL1CbEFBJuh3SvqtpPJ-wK5h-qNKbmctcd42LtaWPa5c6w@mail.gmail.com>
- References: <20150820084541.GA3915@emerald.iucr.org><CAJz_nL1CbEFBJuh3SvqtpPJ-wK5h-qNKbmctcd42LtaWPa5c6w@mail.gmail.com>
Yes, it is the intention to provide the recordings after theevent, 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 listdddwg@iucr.orghttp://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg
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