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Re: [dddwg] Please comment on the attached for ICSTI's InsightsSeries
- To: IUCr Working Group on Diffraction data Deposition <dddwg@iucr.org>
- Subject: Re: [dddwg] Please comment on the attached for ICSTI's InsightsSeries
- From: "Herbert J. Bernstein" <yaya@bernstein-plus-sons.com>
- Date: Mon, 09 Apr 2012 19:18:05 -0400
- In-Reply-To: <5FDAAB132A30B7469258444FB7BD4C91024C71EF@MBXP07.ds.man.ac.uk>
- References: <5FDAAB132A30B7469258444FB7BD4C91024C71EF@MBXP07.ds.man.ac.uk>
Dear John, I think this is an extraordinarily useful document. I have just a few minor quibbles with one paragraph, the first paragraph of section 7 of the third article: "Costs could be minimised by preserving each raw diffraction data set at the local centre (synchrotron facility, neutron research centre or university) thus avoiding quite large network file-transfer costs. Also costs could be cut by preserving only a proportion of each of the raw data sets or by making some form of data set compression (lossy or lossless; James Holton pers comm) or both." I believe that, properly interpreted, the second sentence undercuts the first: By proper use of compression we can have useful diffraction datasets that can be handled in a cost-effective manner, independent of whether they need to be sent over an internal instrument network, an internal institutional network or over the planet-wide internet, and, in order to ensure proper access to such data, we need to move in that direction. If we combine James Holton's suggestion of lossy compression with the highly effective lossless imgCIF Hammersley byte-offset compression used with the Dectris detectors, or with the slower, but even more effective J. P. Abrahams CCP4 compression (also supported in imgCIF) we can have our validation and continuous improvement cake while being able to eat it on current networks. If we do lossless compression for, say, 1 of 20 images, and lossy compression for the remaining 19 of 20 images, we should be able to get at least 10:1 compression, and more likely better than 20:1, with a sufficient number of "perfect" frames for forensic validation and more than enough useful data for continuous inprovement. I would suggest that following rewrite of the paragraph in question: Costs could be minimised by a combination of 7.1 Distributing the burden of storage of the raw data among the collection sites (synchrotron facility, neutron research centre or university), the users sites (e.g. universities) and long-term central repositories where appropriate (e.g. journal supplemental data repositories, university archives, and, perhaps, commercial sites such as Google and Amazon); and 7.2. Both lossless and lossy compression to achieve a balance between retention of forensic quality data and copies of sufficient scientific validity to facilitate continuous improvement; and 7.3. Use of DOIs or similar location-independent identifiers to identify the data as it migrates over the various nets involved among collection sites, users sites and archives. Regards, Herbert On 4/9/12 3:21 AM, John Helliwell wrote: > > Dear Colleagues, > Please comment on the attached which we have drafted for ICSTI's > Insights Series. > > In parallel with inviting your comments we are consulting the ICSTI > Executive Secretary (and who in turn may well consult the President of > ICSTI) as to its suitability; the biggest challenge being the > technical crystallographic terms for the general audience that ICSTI > members cover. > > As a reminder recall that ICSTI (the International Council for > Scientific and Technical Information) embraces numerous national > information science agencies, Librarians, agencies like DataCite, the > Research Information Network, the ALPSP and as scientist delegates:- > from IUPAC (Dr Wendy Warr) and IUPAP (Sir Roger Elliott), besides JRH > for IUCr. > Current full list:- > http://www.icsti.org/spip.php?rubrique44 > > > We are striving to keep to an end of April 2012 delivery of these > three articles to ICSTI if at all possible. > There are still some polishings on referencing style and adding a > movie clip, perhaps most easily via a weblink, that are obviously > still to be done. > > Please reply with any comments before April 19th 2012. > Thankyou in anticipation. > > Best wishes and regards, > John, Tom and Brian > > > Prof John R Helliwell DSc FInstP CPhys FRSC CChem F Soc Biol > Chair School of Chemistry, University of Manchester, Athena Swan Team. > http://www.chemistry.manchester.ac.uk/aboutus/athena/index.html > > > _______________________________________________ > dddwg mailing list > dddwg@iucr.org > http://mailman.iucr.org/mailman/listinfo/dddwg > _______________________________________________ dddwg mailing list dddwg@iucr.org http://mailman.iucr.org/mailman/listinfo/dddwg
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