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=== Morning Sessions: NMReDATA in practice === | === Morning Sessions: NMReDATA in practice === | ||
Revision as of 10:07, 16 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
- 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
Version 0.9
The duration of short presentations is 15' + 5'(max) for questions
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.
- 8:45-9:00 Registration and Welcome
- 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
- Jean-Marc Nuzillard
- Pavel Kessler
- Carlos Cobas
- Dimitris Argyropoulos
- 11:45-12:30 Short talks (15-20 min...)
- Damien Jeannerat
- Robert Hanson
- 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
