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. For further information on accommodation and transport see the [https://www.smashnmr.org/ SMASH website].
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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.  
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The attendance to the sumposium is free of charge thanks to [[sympsium2019sponsors |our '''sponsors''']].
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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.
  
 
== Organization Committee ==
 
== Organization Committee ==
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== Contributors ==
 
== Contributors ==
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Feature presentation:
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*'''Jonathan Bisson''', University of Illinois Chicago, USA
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:: ''What can we do with RAW NMR data and spin parameters''
  
Most short contributions will be given by members of the Initiative including:
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Short contributions:
*'''Stefan Kuhn''', De Montfort University, Leicester, UK, ''"NMReDATA software and nmrshiftdb2"''
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*'''Stefan Kuhn''', De Montfort University, Leicester, UK  
*'''Tomas Lebl''', St Andrews University, UK, ''"NOMAD - NMR Online Management and Datastore"''
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::''NMReDATA software and nmrshiftdb2''
*'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France, ''t.b.a.''
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*'''Tomas Lebl''', St Andrews University, UK  
*'''Wolfgang Robien''', University of Vienna, Austria, '' "On  wrong structure (and assignment) in the scientific litterature...?"'' ''to be confirmed''
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:: ''NOMAD - NMR Online Management and Datastore''
*'''Mate Erdelyi''' (or group member), Upsala University, Sweden ''t.b.a.''
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*'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France co-authors: Stefan Kuhn and Nils Schloerer
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:: ''An attempt to ascertain the proposed structure of a natural product from its NMReDATA record''.
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*'''Wolfgang Robien''', University of Vienna, Austria  
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:: ''A few remarks on wrong structures in the literature''
 
*'''Julien Wist''' , Universidad del Valle, Colombia, ''t.b.a.''
 
*'''Julien Wist''' , Universidad del Valle, Colombia, ''t.b.a.''
*'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, ''t.b.a.''
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*'''Damien Jeannerat''', NMReDATA Initiative, Switzerland,  
*'''Angel Herraez''', University of Alacalá, Spain, ''JMol ... t.b.a.''
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::''Validation of NMReDATA by spectral simulation''
*'''Nils Schloerer''', University of Cologne, Germany, ''Teaching NMR data handling, electronic assignment and CASE at the university – some observations''
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*'''Angel Herráez''', University of Alcalá, Spain
*'''Pavel Kessler''', Bruker Biospin, Germany, ''t.b.a.''
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:: [[AH_abstract|''NMReDATA J_reader: an HTML interface for displaying the contents of NMReDATA files, molecular structure, NMR data and spectra'']]
*'''Carlos Cobas''', Mestrelab, Spain, ''t.b.a.''
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*'''Nils Schloerer''', University of Cologne, Germany  
*'''Dimitris Argyropoulos''', ACD/Labs, Canada, ''t.b.a.''
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:: ''Teaching NMR data handling, electronic assignment and CASE at the university''
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*'''Pavel Kessler''', Bruker Biospin, Germany, ''Bruker implementation of NMReData''
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*'''Carlos Cobas''', Mestrelab, Spain  
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:: [[CC_abstract|''Mnova meets NMReData: automation workflows and new opportunities'']]
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*'''Dimitris Argyropoulos''', ACD/Labs, Canada, ''Implementing the NMReDATA format into your workflows using ACD/Labs software''
  
 
==Program  ==
 
==Program  ==
<span style="color:#FF8C00">  ''This is only a tentative sketch of the program...'' </span>
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<span style="color:#FF8C00">  ''Tentative program...'' </span>
  
 
'''Morning Sessions: NMReDATA in practice'''   
 
'''Morning Sessions: NMReDATA in practice'''   
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*9:00-9:30 Registration and Welcome
 
*9:00-9:30 Registration and Welcome
*9:30-10:00 '''Keynote 1'''  
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*9:30-10:15 '''Feature presentation, '''Jonathan Bisson''''''  
*10:00-10:45 '''Short talks''' (15-20 in each...)
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*10:15-11:00 '''Short talks''' (15-20 min...)
*10:45-11:00 Coffee Break
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*11:00-11:15 Coffee Break
*11:00-11:45 '''Short talks''' (15-20 in each...)
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*11:15-11:45 '''short communications''' (10-15 min...)
*11:45-12:30 '''Keynote 2 / Short talks'''
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*11:45-12:30 '''Short talks''' (15-20 min...)
  
 
'''Afternoon Session: Further development of NMReDATA'''
 
'''Afternoon Session: Further development of NMReDATA'''
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''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'''  
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*14:00 - 15:15 '''Short technical talks / Discussion''' (15-20 min...)
 
*15:15 - 15:45 Coffee break
 
*15:15 - 15:45 Coffee break
*14:45 - 16:30 '''Short organization talks / Discussion'''
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*14:45 - 16:30 '''Short Initiative organization presentation / Discussion'''
== Registration ==
 
 
 
Registration is not open yet, but will (probably) be part of the [https://www.smashnmr.org/conference/registration SMASH registration]. Registering to the Symposium will also be possible.
 

Revision as of 15:51, 14 July 2019

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.

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
What can we do with RAW NMR data and spin parameters

Short contributions:

  • 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
An attempt to ascertain the proposed structure of a natural product from its NMReDATA record.
  • Wolfgang Robien, University of Vienna, Austria
A few remarks on wrong structures in the literature
  • Julien Wist , Universidad del Valle, Colombia, t.b.a.
  • Damien Jeannerat, NMReDATA Initiative, Switzerland,
Validation of NMReDATA by spectral simulation
  • 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
  • Nils Schloerer, University of Cologne, Germany
Teaching NMR data handling, electronic assignment and CASE at the university
  • Pavel Kessler, Bruker Biospin, Germany, Bruker implementation of NMReData
  • Carlos Cobas, Mestrelab, Spain
Mnova meets NMReData: automation workflows and new opportunities
  • Dimitris Argyropoulos, ACD/Labs, Canada, Implementing the NMReDATA format into your workflows using ACD/Labs software

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...)
  • 11:00-11:15 Coffee Break
  • 11:15-11:45 short communications (10-15 min...)
  • 11:45-12:30 Short talks (15-20 min...)

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...)
  • 15:15 - 15:45 Coffee break
  • 14:45 - 16:30 Short Initiative organization presentation / Discussion