Difference between revisions of "Symposium2019"

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== General ==
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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.
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A [[:File:Symposiumflyer.pdf|PDF flyer]] for the symposium is now available.
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== Organization Committee ==
  
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== General ==
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*[https://www.unige.ch/sciences/chiorg/jeannerat/ Damien Jeannerat], Université de Genève, ''co-chair''
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*[https://www.dmu.ac.uk/about-dmu/academic-staff/technology/stefan-kuhn/stefan-kuhn.aspx Stefan Kuhn], De Montfort University, Leicester, ''co-chair''
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*Tomas Lebl
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*Bozhana Mikhova
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*Manuel Perez
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*Julien Wist
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== Contributors ==
  
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This page gives official information for participants in the NMReDATA Symposium as part of SMASH 2019.
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=== Feature presentation: ===
  
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*'''Jonathan Bisson''', University of Illinois Chicago, USA
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:: [[JB_abstract|''What can we do with RAW NMR data and spin parameters'']]
  
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== Registration ==
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=== Short contributions (academia) ===
  
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*'''Stefan Kuhn''', De Montfort University, Leicester, UK
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::''NMReDATA software and nmrshiftdb2''
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*'''Tomas Lebl''', St Andrews University, UK
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:: ''NOMAD - NMR Online Management and Datastore''
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*'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France  co-authors: Stefan Kuhn and Nils Schloerer
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::  ''NMReDATA file validation through Computer-Assisted Structure Elucidation''.
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*'''Wolfgang Robien''', University of Vienna, Austria
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:: ''A few remarks on wrong structures in the literature''
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*'''Damien Jeannerat''', NMReDATA Initiative, Switzerland,
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::''Validation of NMReDATA by spectral simulation''
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*'''Angel Herráez''', University of Alcalá, Spain
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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'']]
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*'''Nils Schloerer''', University of Cologne, Germany
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:: ''Teaching NMR data handling, electronic assignment and CASE at the university''
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*'''Robert Hanson''', St. Olaf College, Northfield, MN,
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:: [[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'']]
  
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As part of the [https://www.smashnmr.org/conference/registration SMASH registration] or, if participation only in the symposium is intended, ...
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=== Short  contributions (industry) ===
  
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*'''Pavel Kessler''', Bruker Biospin, Germany,
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::[[PK_abstract|''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,
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:: ''Implementing the NMReDATA format into your workflows using ACD/Labs software''
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*'''Sina Kazemi''', SIGNALS, Germany
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:: [[JL_abstract|''LOGS - a natural fit for NMReData'']]
  
 
== Program ==
 
== Program ==
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<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>
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=== Morning Sessions: NMReDATA in practice ===
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''Audience'': General public of the SMASH conference.
  
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===Morning sesion: '''NMReDATA in practice''' Chair...===
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''Aim:'' Present the relevance of the NMReDATA Initiative in chemistry. Presentation of the current tools available to chemists.
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Audiance: General public of the SMASH confence.
 
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Aim: Present the relevance of the NMReDATA Initiative in chemistry and the existing tools.
 
  
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*9:00-9:30: Registration and Welcome
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*9:00-9:30 Registration and Welcome
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*9:30-10:15 '''Feature presentation, Jonathan Bisson'''
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*10:15-11:00 '''Short talks''' (15-20 min...)
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:* Jean-Marc Nuzillard
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:* Nils Schloerer
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:* Robert Hanson
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*11:00-11:15 Coffee Break
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*11:15-11:45 '''Short communications''' (10-15 min...)
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:* Carlos Cobas
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:* Pavel Kessler
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*11:45-12:30 '''Short talks''' (15-20 min...)
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:* Damien Jeannerat
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:* Wolfgang Robien
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:* Jakob Lopez
  
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*9:30-10:00: Keynote presentation Presentation 1
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=== Afternoon Session: Further development of NMReDATA ===
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*10:00-10:45: Short talks (15-20 in each...)
 
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Break
 
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*11:00-11:45: Short talks (15-20 in each...)
 
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11:45-12h30: Keynote 2
 
  
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''Audience'': Developers and administrator of the Initiative.
  
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===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.  
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Audiance: Developers and administrator of the Initiative.
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*14:00 - 15:15 '''Short technical talks / Discussion''' (15-20 min...)
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Aim: Present  the Version 2 of the format. Discussion of open issues. Decide how the NMReDATA Initiative should be structured, founded, coordianated, etc.  
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:* Stefan Kuhn
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*14:00 - 14:30: Short presentation  
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:* Tomas Lebl
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16h30 ? End ?
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:* Angel Herráez
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:* Dimitris Argyropoulos
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*15:15 - 15:45 Coffee break
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*14:45 - 16:30 '''Short Initiative organization presentation / Discussion'''

Revision as of 17:09, 13 September 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.

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
What can we do with RAW NMR data and spin parameters

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
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
  • Robert Hanson, St. Olaf College, Northfield, MN,
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,
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
  • Sina Kazemi, SIGNALS, Germany
LOGS - a natural fit for NMReData

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
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