Difference between revisions of "Symposium2019"
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== General == | == 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 first [https://www.eventbrite.com/e/nmredata-symposium-tickets-62143090657 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 [[sympsium2019sponsors |our '''sponsors''']]. | The attendance to the sumposium is free of charge thanks to [[sympsium2019sponsors |our '''sponsors''']]. | ||
For [https://www.smashnmr.org/index.php?option=com_rsform&view=rsform&formId=34 registration] and further information on accommodation and transport see the [https://www.smashnmr.org/ SMASH website]. Registration is needed also for SMASH participants. | For [https://www.smashnmr.org/index.php?option=com_rsform&view=rsform&formId=34 registration] and further information on accommodation and transport see the [https://www.smashnmr.org/ SMASH website]. Registration is needed also for SMASH participants. | ||
+ | |||
+ | A [[:File:Symposiumflyer.pdf|PDF flyer]] for the symposium is now available. | ||
== Organization Committee == | == Organization Committee == | ||
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== Contributors == | == Contributors == | ||
− | |||
− | |||
− | Short contributions | + | === Feature presentation: === |
+ | |||
+ | *'''Jonathan Bisson''', University of Illinois Chicago, USA | ||
+ | :: [[JB_abstract|''What can we do with RAW NMR data and spin parameters'']] | ||
+ | |||
+ | === Short contributions (academia) === | ||
+ | |||
*'''Stefan Kuhn''', De Montfort University, Leicester, UK | *'''Stefan Kuhn''', De Montfort University, Leicester, UK | ||
::''NMReDATA software and nmrshiftdb2'' | ::''NMReDATA software and nmrshiftdb2'' | ||
Line 26: | Line 32: | ||
:: ''NOMAD - NMR Online Management and Datastore'' | :: ''NOMAD - NMR Online Management and Datastore'' | ||
*'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France co-authors: Stefan Kuhn and Nils Schloerer | *'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France co-authors: Stefan Kuhn and Nils Schloerer | ||
− | :: '' | + | :: ''NMReDATA file validation through Computer-Assisted Structure Elucidation''. |
*'''Wolfgang Robien''', University of Vienna, Austria | *'''Wolfgang Robien''', University of Vienna, Austria | ||
− | :: '' | + | :: ''A few remarks on wrong structures in the literature'' |
− | |||
− | |||
*'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, | *'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, | ||
::''Validation of NMReDATA by spectral simulation'' | ::''Validation of NMReDATA by spectral simulation'' | ||
*'''Angel Herráez''', University of Alcalá, Spain | *'''Angel Herráez''', University of Alcalá, Spain | ||
− | ::''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'']] |
*'''Nils Schloerer''', University of Cologne, Germany | *'''Nils Schloerer''', University of Cologne, Germany | ||
− | :: ''Teaching NMR data handling, electronic assignment and CASE at the university | + | :: ''Teaching NMR data handling, electronic assignment and CASE at the university'' |
− | *'''Pavel Kessler''', Bruker Biospin, Germany, '' | + | *'''Robert Hanson''', St. Olaf College, Northfield, MN, |
+ | :: [[RH_abstract|''Putting it all together: Fully automated NMR spectrometer, web-based analysis, and spectral simulation with 2D/3D structure correlation for first-year organic chemistry'']] | ||
+ | |||
+ | === Short contributions (industry) === | ||
+ | |||
+ | *'''Pavel Kessler''', Bruker Biospin, Germany, | ||
+ | ::[[PK_abstract|''Bruker implementation of NMReData'']] | ||
*'''Carlos Cobas''', Mestrelab, Spain | *'''Carlos Cobas''', Mestrelab, Spain | ||
− | ::''Mnova meets NMReData: automation workflows and new opportunities'' | + | :: [[CC_abstract|''Mnova meets NMReData: automation workflows and new opportunities'']] |
− | *'''Dimitris Argyropoulos''', ACD/Labs, Canada, '' | + | *'''Dimitris Argyropoulos''', ACD/Labs, Canada, |
+ | :: ''Implementing the NMReDATA format into your workflows using ACD/Labs software'' | ||
+ | *'''Sina Kazemi''', SIGNALS, Germany | ||
+ | :: [[JL_abstract|''LOGS - a natural fit for NMReData'']] | ||
− | ==Program | + | == Program == |
<span style="color:#FF8C00"> ''Tentative program...'' </span> | <span style="color:#FF8C00"> ''Tentative program...'' </span> | ||
− | + | === Morning Sessions: NMReDATA in practice === | |
''Audience'': General public of the SMASH conference. | ''Audience'': General public of the SMASH conference. | ||
Line 52: | Line 65: | ||
*9:00-9:30 Registration and Welcome | *9:00-9:30 Registration and Welcome | ||
− | *9:30-10:15 '''Feature presentation, | + | *9:30-10:15 '''Feature presentation, Jonathan Bisson''' |
*10:15-11:00 '''Short talks''' (15-20 min...) | *10:15-11:00 '''Short talks''' (15-20 min...) | ||
+ | :* Jean-Marc Nuzillard | ||
+ | :* Nils Schloerer | ||
+ | :* Robert Hanson | ||
*11:00-11:15 Coffee Break | *11:00-11:15 Coffee Break | ||
− | *11:15-11:45 ''' | + | *11:15-11:45 '''Short communications''' (10-15 min...) |
+ | :* Carlos Cobas | ||
+ | :* Pavel Kessler | ||
*11:45-12:30 '''Short talks''' (15-20 min...) | *11:45-12:30 '''Short talks''' (15-20 min...) | ||
+ | :* Damien Jeannerat | ||
+ | :* Wolfgang Robien | ||
+ | :* Jakob Lopez | ||
− | + | === Afternoon Session: Further development of NMReDATA === | |
''Audience'': Developers and administrator of the Initiative. | ''Audience'': Developers and administrator of the Initiative. | ||
Line 64: | Line 85: | ||
''Aim:'' Present the [[Future_version | Version 2 of the format]]. Discussion of open issues. Decide how the NMReDATA Initiative should be structured, founded, coordinated, etc. | ''Aim:'' Present the [[Future_version | Version 2 of the format]]. Discussion of open issues. Decide how the NMReDATA Initiative should be structured, founded, coordinated, etc. | ||
*14:00 - 15:15 '''Short technical talks / Discussion''' (15-20 min...) | *14:00 - 15:15 '''Short technical talks / Discussion''' (15-20 min...) | ||
+ | :* Stefan Kuhn | ||
+ | :* Tomas Lebl | ||
+ | :* Angel Herráez | ||
+ | :* Dimitris Argyropoulos | ||
*15:15 - 15:45 Coffee break | *15:15 - 15:45 Coffee break | ||
*14:45 - 16:30 '''Short Initiative organization presentation / Discussion''' | *14:45 - 16:30 '''Short Initiative organization presentation / Discussion''' |
Revision as of 17:09, 13 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
Contributors
Feature presentation:
- Jonathan Bisson, University of Illinois Chicago, USA
Short contributions (academia)
- Stefan Kuhn, De Montfort University, Leicester, UK
- NMReDATA software and nmrshiftdb2
- Tomas Lebl, St Andrews University, UK
- NOMAD - NMR Online Management and Datastore
- Jean-Marc Nuzillard, University of Champagne Ardenne, France co-authors: Stefan Kuhn and Nils Schloerer
- NMReDATA file validation through Computer-Assisted Structure Elucidation.
- Wolfgang Robien, University of Vienna, Austria
- A few remarks on wrong structures in the literature
- Damien Jeannerat, NMReDATA Initiative, Switzerland,
- Validation of NMReDATA by spectral simulation
- Angel Herráez, University of Alcalá, Spain
- Nils Schloerer, University of Cologne, Germany
- Teaching NMR data handling, electronic assignment and CASE at the university
- Robert Hanson, St. Olaf College, Northfield, MN,
Short contributions (industry)
- 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
Program
Tentative program...
Morning Sessions: NMReDATA in practice
Audience: General public of the SMASH conference.
Aim: Present the relevance of the NMReDATA Initiative in chemistry. Presentation of the current tools available to chemists.
- 9:00-9:30 Registration and Welcome
- 9:30-10:15 Feature presentation, Jonathan Bisson
- 10:15-11:00 Short talks (15-20 min...)
- Jean-Marc Nuzillard
- Nils Schloerer
- Robert Hanson
- 11:00-11:15 Coffee Break
- 11:15-11:45 Short communications (10-15 min...)
- Carlos Cobas
- Pavel Kessler
- 11:45-12:30 Short talks (15-20 min...)
- Damien Jeannerat
- Wolfgang Robien
- Jakob Lopez
Afternoon Session: Further development of NMReDATA
Audience: Developers and administrator of the Initiative.
Aim: Present the Version 2 of the format. Discussion of open issues. Decide how the NMReDATA Initiative should be structured, founded, coordinated, etc.
- 14:00 - 15:15 Short technical talks / Discussion (15-20 min...)
- Stefan Kuhn
- Tomas Lebl
- Angel Herráez
- Dimitris Argyropoulos
- 15:15 - 15:45 Coffee break
- 14:45 - 16:30 Short Initiative organization presentation / Discussion