From JulianHenn at web.de Fri Aug 20 20:28:00 2021 From: JulianHenn at web.de (Julian Henn) Date: Fri, 20 Aug 2021 19:28:00 +0200 Subject: [Cod-bugs] Online Meeting, topic systematic errors in diffraction data Message-ID: An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: Letter to the board of COD.pdf Type: application/pdf Size: 347221 bytes Desc: not available URL: From grazulis at ibt.lt Sat Aug 21 09:19:41 2021 From: grazulis at ibt.lt (=?UTF-8?Q?Saulius_Gra=c5=beulis?=) Date: Sat, 21 Aug 2021 09:19:41 +0300 Subject: [Cod-bugs] Online Meeting, topic systematic errors in diffraction data In-Reply-To: References: Message-ID: <4544cf2f-2ea1-e2e7-6c86-760e1958a0b9@ibt.lt> Dear Dr. Henn, thank you very much for you letter and for your interest in collaboration with the Crystallography Open Database team. I will forward you e-mail to all Advisory Board members (since not all of them are on the cod-bugs list). Meanwhile, I can confirm that my research group at the University of Vilnius has very keen interest in the topics you have highlighted; we dedicate much of our time to address issues of data quality, validation, and correspondence between scientific theories and experiments. The questions you raise about systematic errors are very important and we would be happy to team up with our data and data experience to address them. I would be very glad to meet you on-line. At the moment I can confirm that I am available during the time slot 9:00?10:00 EEST on September 13th; after that I have lectures the whole day. I guess however that you are in the CEST time zone, so for you that would be 8:00?10:00 am, wouldn't it? Is that OK for you? If not, maybe we can meet on Zoom on Tuesday, 14th of September ? for me all times are free on that day? Sincerely yours, Saulius On 2021-08-20 20:28, Julian Henn wrote: > > To: Daniel Chateigner, Xiaolong Chen, Marco Ciriotti, Robert T. Downs, > Saulius Graz?ulis, Werner Kaminsky, Armel Le Bail, Luca Lutterotti, > Yoshitaka Matsushita, Andrius Merkys, Peter Moeck, Peter Murray-Rust, > Miguel Quiro?s Oloza?bal, Hareesh Rajan, Alexandre F.T. Yokochi > > 20.08.2021 > > Online Meeting > > Dear members of the advisory board of COD, > your data base is about to reach half a million entries. Congratulations! > > We are DataQ Intelligence, a startup from Bayreuth, Germany, > (https://www.dataqintelligence.com/ > ) supported by the European Union > and the EXIST- Program. > Our topic is "systematic errors in diffraction data". We are looking > for partners who are also concerned about data quality issues in > crystallography. Our vision is that in 5-10 years each individual > structure publication will include a small paragraph dedicated to the > topic of systematic errors that addresses questions like: > - how much (to which degree) is the data set affected by systematic > errors? > - how do systematic errors show up (characteristic appearance, > descriptive side)? > - what are the likely consequences for model parameters and model > parameter errors? > - what is a possible or likely source of this error? > - are there yet ways to remove this error known? > We think that this topic might be of interest to you as well and that > we should talk to each other about this > if you feel so as well. > This is an informal request for an online meeting via Zoom or MS Teams > for deepening this discussion. (We will send you the invitation mail > after you confirmed). > We suggest to meet online on 13th of September at 9:00am. > > Dr. rer. nat. habil. J.?Henn > CEO DataQ Intelligence > Bayreuth > Tel.: 0176-53446426 > > -- > This message has been scanned for viruses and > dangerous content by *MailScanner* , and is > believed to be clean. > > _______________________________________________ > Cod-bugs mailing list > Cod-bugs at lists.crystallography.net > http://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs -- Dr. Saulius Gra?ulis Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353 mobile: (+370-684)-49802, (+370-614)-36366 -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: grazulis.vcf Type: text/x-vcard Size: 4 bytes Desc: not available URL: From grazulis at ibt.lt Sat Aug 21 09:35:21 2021 From: grazulis at ibt.lt (=?UTF-8?Q?Saulius_Gra=c5=beulis?=) Date: Sat, 21 Aug 2021 09:35:21 +0300 Subject: [Cod-bugs] Online Meeting, topic systematic errors in diffraction data In-Reply-To: References: Message-ID: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> Dear Dr. Henn, I have noticed that your company is participating in the IUCr 25 Congress, and so am I (on-line), We could meet today (2021-08-21) or tomorrow in the Virtual Foyer during the break ? would that be convenient for you? Sincerely yours, Saulius On 2021-08-20 20:28, Julian Henn wrote: > We are DataQ Intelligence, a startup from Bayreuth, Germany, > (https://www.dataqintelligence.com/ > ) supported by the European Union > and the EXIST- Program. > Our topic is "systematic errors in diffraction data". We are looking > for partners who are also concerned about data quality issues in > crystallography. Our vision is that in 5-10 years each individual > structure publication will include a small paragraph dedicated to the > topic of systematic errors that addresses questions like: > - how much (to which degree) is the data set affected by systematic > errors? > - how do systematic errors show up (characteristic appearance, > descriptive side)? > - what are the likely consequences for model parameters and model > parameter errors? > - what is a possible or likely source of this error? > - are there yet ways to remove this error known? -- Dr. Saulius Gra?ulis Vilnius University Institute of Biotechnology, Saul?tekio al. 7 LT-10257 Vilnius, Lietuva (Lithuania) fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353 mobile: (+370-684)-49802, (+370-614)-36366 -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: -------------- next part -------------- A non-text attachment was scrubbed... Name: grazulis.vcf Type: text/x-vcard Size: 4 bytes Desc: not available URL: From JulianHenn at web.de Sat Aug 21 13:58:16 2021 From: JulianHenn at web.de (Julian Henn) Date: Sat, 21 Aug 2021 12:58:16 +0200 Subject: [Cod-bugs] =?utf-8?q?Re=3A__Online_Meeting=2C_topic_systematic_e?= =?utf-8?q?rrors_in_diffraction_data?= In-Reply-To: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> References: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> Message-ID: An HTML attachment was scrubbed... URL: From JulianHenn at web.de Sat Aug 21 14:17:58 2021 From: JulianHenn at web.de (Julian Henn) Date: Sat, 21 Aug 2021 13:17:58 +0200 Subject: [Cod-bugs] =?utf-8?q?Re=3A__Online_Meeting=2C_topic_systematic_e?= =?utf-8?q?rrors_in_diffraction_data?= In-Reply-To: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> References: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> Message-ID: An HTML attachment was scrubbed... URL: From JulianHenn at web.de Sat Aug 21 15:00:39 2021 From: JulianHenn at web.de (Julian Henn) Date: Sat, 21 Aug 2021 14:00:39 +0200 Subject: [Cod-bugs] =?utf-8?q?Re=3A__Online_Meeting=2C_topic_systematic_e?= =?utf-8?q?rrors_in_diffraction_data?= In-Reply-To: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> References: <1cffc006-e60a-4b50-5aa8-b35cb431e097@ibt.lt> Message-ID: An HTML attachment was scrubbed... URL: