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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 further information on accommodation and transport see the SMASH website.

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


Feature presentation:

  • Jonathan Bisson, University of Illinois Chicago, USA, title t.b.a.

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
On wrong structure (and assignment) in the scientific litterature...? to be confirmed
  • Mate Erdelyi (or group member), Upsala University, Sweden t.b.a.
  • Julien Wist , Universidad del Valle, Colombia, t.b.a.
  • Damien Jeannerat, NMReDATA Initiative, Switzerland, t.b.a.
  • Angel Herráez, University of Alcalá, Spain, Jmol ... t.b.a.
  • Nils Schloerer, University of Cologne, Germany
Teaching NMR data handling, electronic assignment and CASE at the university – some observations
  • Pavel Kessler, Bruker Biospin, Germany, t.b.a.
  • Carlos Cobas, Mestrelab, Spain, t.b.a.
  • Dimitris Argyropoulos, ACD/Labs, Canada, t.b.a.


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


Registration is not open yet, but will (probably) be part of the SMASH registration. Registering to the Symposium will also be possible.