Difference between revisions of "Symposium2019"

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(Program)
(Program)
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== Program ==
 
== Program ==
<span style="color:#FF8C00">  ''Version 0.9  
+
<span style="color:#FF8C00">  ''Version 0.9 </span>
  
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>
 +
*8:45-9:00 Registration and Welcome
 +
==== First Session: Relevance of the NMReDATA Initiative in chemistry ====
  
=== Morning Sessions: NMReDATA in practice ===
 
  
''Audience'': General public of the SMASH conference.  
+
*10:00-9:40 '''Feature presentation, Jonathan Bisson'''
 +
*9:40-10:40 '''Short talks''' (15+5 min.)
 +
:* Wolfgang Robien
 +
:* Nils Schlörer
 +
*10:40-11:00 Coffee Break
  
''Aim:'' Present the relevance of the NMReDATA Initiative in chemistry. Presentation of the current tools available to chemists.
+
==== Second Session: Available software and tools relevant to the NMReDATA Initiative ====
  
*8:45-9:00 Registration and Welcome
+
*11:00-12:35 '''Short talks''' (15+5 min.)
*9:00-9:45 '''Feature presentation, Jonathan Bisson'''
 
*9:45-10:40 '''Short talks''' (15+5 min...)
 
:* Wolfgang Robien
 
:* Nils Schloerer
 
*10:40-11:00 Coffee Break
 
*11:00-12:35 '''Short communications''' (15+5 min...)
 
 
:* Stefan Kuhn
 
:* Stefan Kuhn
 
:* Jean-Marc Nuzillard
 
:* Jean-Marc Nuzillard
Line 78: Line 77:
 
:* Carlos Cobas
 
:* Carlos Cobas
 
:* Dimitris Argyropoulos
 
:* Dimitris Argyropoulos
 +
*12:35-13:30 Lunch Break
  
 
+
==== Third Session: Further development of NMReDATA ====
*11:45-12:30 '''Short talks''' (15-20 min...)
+
*13:30-15:10 '''Short talks''' (15-20 min.)
 +
:* Robert Hanson
 +
:* Angel Herráez
 
:* Damien Jeannerat
 
:* Damien Jeannerat
:* Robert Hanson
+
:* Tomas Lebl
:* Jakob Lopez
+
:* Sina Kyzemi
 
+
*15:10 - 15:40 Coffee break
=== Afternoon Session: Further development of NMReDATA ===
 
  
''Audience'': Developers and administrator of the Initiative.
+
==== Round table discussion ====
  
''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.  
+
*15:40 - 16:20 :[[Future_version | Future version of the format]] and Admistration of the NMReDATA Initiative
*14:00 - 15:15 '''Short technical talks / Discussion''' (15-20 min...)
+
:*Decide how the NMReDATA Initiative should be structured, funded, coordinated, etc.
:* Stefan Kuhn
+
:*Discussion of open issues with the format.  
:* Tomas Lebl
+
*16:20 - 16:30 Closing remarks
:* Angel Herráez
 
:* Dimitris Argyropoulos
 
*15:15 - 15:45 Coffee break
 
*14:45 - 16:30 '''Short Initiative organization presentation / Discussion'''
 

Revision as of 10:28, 16 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

Version 0.9

The duration of short presentations is 15' + 5'(max.) for questions

  • 8:45-9:00 Registration and Welcome

First Session: Relevance of the NMReDATA Initiative in chemistry

  • 10:00-9:40 Feature presentation, Jonathan Bisson
  • 9:40-10:40 Short talks (15+5 min.)
  • Wolfgang Robien
  • Nils Schlörer
  • 10:40-11:00 Coffee Break

Second Session: Available software and tools relevant to the NMReDATA Initiative

  • 11:00-12:35 Short talks (15+5 min.)
  • Stefan Kuhn
  • Jean-Marc Nuzillard
  • Pavel Kessler
  • Carlos Cobas
  • Dimitris Argyropoulos
  • 12:35-13:30 Lunch Break

Third Session: Further development of NMReDATA

  • 13:30-15:10 Short talks (15-20 min.)
  • Robert Hanson
  • Angel Herráez
  • Damien Jeannerat
  • Tomas Lebl
  • Sina Kyzemi
  • 15:10 - 15:40 Coffee break

Round table discussion

  • Decide how the NMReDATA Initiative should be structured, funded, coordinated, etc.
  • Discussion of open issues with the format.
  • 16:20 - 16:30 Closing remarks