Difference between revisions of "Symposium2019"
From NMReDATA
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== Program == | == Program == | ||
| − | <span style="color:#FF8C00"> ''Version 0. | + | <span style="color:#FF8C00"> ''Version 0.95 (as 24 sept 14:30)'' </span> |
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!!<span style="color:#8C8C00"> The duration of short presentations is 15' + 5'(max.) for questions'' </span> | !!<span style="color:#8C8C00"> The duration of short presentations is 15' + 5'(max.) for questions'' </span> | ||
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:*'''Nils Schloerer''', University of Cologne, Germany | :*'''Nils Schloerer''', University of Cologne, Germany | ||
:: [[NS_abstract|''Teaching NMR data handling, electronic assignment and CASE at the university'']] | :: [[NS_abstract|''Teaching NMR data handling, electronic assignment and CASE at the university'']] | ||
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*10:40-11:00 Coffee Break | *10:40-11:00 Coffee Break | ||
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:*'''Stefan Kuhn''', De Montfort University, Leicester, UK | :*'''Stefan Kuhn''', De Montfort University, Leicester, UK | ||
::[[SK_abstract|''NMReDATA software and nmrshiftdb2'']] | ::[[SK_abstract|''NMReDATA software and nmrshiftdb2'']] | ||
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:*'''Pavel Kessler''', Bruker Biospin, Germany, | :*'''Pavel Kessler''', Bruker Biospin, Germany, | ||
::[[PK_abstract|''Bruker implementation of NMReData'']] | ::[[PK_abstract|''Bruker implementation of NMReData'']] | ||
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:*'''Dimitris Argyropoulos''', ACD/Labs, Canada, | :*'''Dimitris Argyropoulos''', ACD/Labs, Canada, | ||
:: ''Implementing the NMReDATA format into your workflows using ACD/Labs software'' | :: ''Implementing the NMReDATA format into your workflows using ACD/Labs software'' | ||
| + | :*'''Sina Kazemi''', SIGNALS, Germany | ||
| + | :: [[JL_abstract|''LOGS - a natural fit for NMReData'']] | ||
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*12:40-13:30 Lunch Break | *12:40-13:30 Lunch Break | ||
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==== Third Session: Further development of NMReDATA ==== | ==== Third Session: Further development of NMReDATA ==== | ||
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:*'''Angel Herráez''', University of Alcalá, Spain | :*'''Angel Herráez''', University of Alcalá, Spain | ||
:: [[AH_abstract|''NMReDATA J_reader: an HTML interface for displaying the contents of NMReDATA files, molecular structure, NMR data and spectra'']] | :: [[AH_abstract|''NMReDATA J_reader: an HTML interface for displaying the contents of NMReDATA files, molecular structure, NMR data and spectra'']] | ||
| + | :*'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France co-authors: Stefan Kuhn and Nils Schloerer | ||
| + | ::[[JMN-abstract|''NMReDATA file validation through Computer-Assisted Structure Elucidation'']] | ||
:*'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, | :*'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, | ||
::''Validation of NMReDATA by spectral simulation'' | ::''Validation of NMReDATA by spectral simulation'' | ||
:*'''Tomas Lebl''', St Andrews University, UK | :*'''Tomas Lebl''', St Andrews University, UK | ||
:: ''NOMAD - NMR Online Management and Datastore'' | :: ''NOMAD - NMR Online Management and Datastore'' | ||
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*15:10 - 15:40 Coffee break | *15:10 - 15:40 Coffee break | ||
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:*Discussion of open issues with the format. | :*Discussion of open issues with the format. | ||
:*Decide how the NMReDATA Initiative should be structured, funded, coordinated, etc. | :*Decide how the NMReDATA Initiative should be structured, funded, coordinated, etc. | ||
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*16:20 - 16:30 Closing remarks | *16:20 - 16:30 Closing remarks | ||
Revision as of 14:29, 24 September 2019
Contents
General
The first NMReDATA symposium will take place on Thursday, September 26th 2019 as a satellite meeting of the SMASH 2019 Conference at Sheraton Porto Hotel & Spa in Porto, Portugal.
The attendance to the sumposium is free of charge thanks to our sponsors.
For registration and further information on accommodation and transport see the SMASH website. Registration is needed also for SMASH participants.
A PDF flyer for the symposium is now available.
Organization Committee
- Damien Jeannerat, Université de Genève, co-chair
- Stefan Kuhn, De Montfort University, Leicester, co-chair
- Tomas Lebl
- Bozhana Mikhova
- Manuel Perez
- Julien Wist
Program
Version 0.95 (as 24 sept 14:30)
- 8:45-9:00 Registration (bring your SMASH badge if you have one)
First Session: Relevance of the NMReDATA Initiative in chemistry
- 9:00-9:15 Forwords on The NMReDATA Initiative (15 min.), Damien Jeannerat
- 9:15-10:00 Feature presentation (40+5 min.)
- Jonathan Bisson, University of Illinois Chicago, USA
- 10:00-10:40 Short talks (15+5 min.)
- Wolfgang Robien, University of Vienna, Austria
- Nils Schloerer, University of Cologne, Germany
- 10:40-11:00 Coffee Break
Second Session: Available software and tools relevant to the NMReDATA Initiative
- 11:00-12:40 Short talks (15+5 min.)
- Stefan Kuhn, De Montfort University, Leicester, UK
- Pavel Kessler, Bruker Biospin, Germany,
- Carlos Cobas, Mestrelab, Spain
- Dimitris Argyropoulos, ACD/Labs, Canada,
- Implementing the NMReDATA format into your workflows using ACD/Labs software
- Sina Kazemi, SIGNALS, Germany
- 12:40-13:30 Lunch Break
Third Session: Further development of NMReDATA
- 13:30-15:10 Short talks (15+5 min.)
- Robert Hanson, St. Olaf College, Northfield, MN,
- Angel Herráez, University of Alcalá, Spain
- Jean-Marc Nuzillard, University of Champagne Ardenne, France co-authors: Stefan Kuhn and Nils Schloerer
- Damien Jeannerat, NMReDATA Initiative, Switzerland,
- Validation of NMReDATA by spectral simulation
- Tomas Lebl, St Andrews University, UK
- NOMAD - NMR Online Management and Datastore
- 15:10 - 15:40 Coffee break
Round table discussion
- 15:40 - 16:20 : Future version of the format and Admistration of the NMReDATA Initiative
- Discussion of open issues with the format.
- Decide how the NMReDATA Initiative should be structured, funded, coordinated, etc.
- 16:20 - 16:30 Closing remarks
