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. The attendance to the sumposium is free of charge thanks to [[sympsium2019sponsors |our sponsors]]. For further information on accommodation and transport see the [https://www.smashnmr.org/ SMASH website]. | + | 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. |
+ | |||
+ | The attendance to the sumposium is free of charge thanks to [[sympsium2019sponsors |our '''sponsors''']]. | ||
+ | |||
+ | 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 == | ||
Feature presentation: | Feature presentation: | ||
− | *'''Jonathan Bisson''', University of Illinois Chicago, USA | + | *'''Jonathan Bisson''', University of Illinois Chicago, USA |
+ | :: ''What can we do with RAW NMR data and spin parameters'' | ||
Short contributions: | Short contributions: | ||
− | *'''Stefan Kuhn''', De Montfort University, Leicester, UK | + | *'''Stefan Kuhn''', De Montfort University, Leicester, UK |
− | *'''Tomas Lebl''', St Andrews University, UK | + | ::''NMReDATA software and nmrshiftdb2'' |
− | *'''Jean-Marc Nuzillard''', University of Champagne Ardenne, France | + | *'''Tomas Lebl''', St Andrews University, UK |
− | *'''Wolfgang Robien''', University of Vienna, Austria | + | :: ''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.'' | *'''Julien Wist''' , Universidad del Valle, Colombia, ''t.b.a.'' | ||
− | *'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, '' | + | *'''Damien Jeannerat''', NMReDATA Initiative, Switzerland, |
− | *'''Angel Herráez''', University of Alcalá, Spain | + | ::''Validation of NMReDATA by spectral simulation'' |
− | *'''Nils Schloerer''', University of Cologne, Germany | + | *'''Angel Herráez''', University of Alcalá, Spain |
− | *'''Pavel Kessler''', Bruker Biospin, Germany, '' | + | :: [[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 | + | *'''Nils Schloerer''', University of Cologne, Germany |
− | *'''Dimitris Argyropoulos''', ACD/Labs, Canada, '' | + | :: ''Teaching NMR data handling, electronic assignment and CASE at the university'' |
+ | *'''Pavel Kessler''', Bruker Biospin, Germany, ''Bruker implementation of NMReData'' | ||
+ | *'''Carlos Cobas''', Mestrelab, Spain | ||
+ | :: [[CC_abstract|''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 == | ==Program == | ||
− | <span style="color:#FF8C00"> '' | + | <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: | + | *9:30-10:15 '''Feature presentation, '''Jonathan Bisson'''''' |
− | *10: | + | *10:15-11:00 '''Short talks''' (15-20 min...) |
− | * | + | *11:00-11:15 Coffee Break |
− | *11: | + | *11:15-11:45 '''short communications''' (10-15 min...) |
− | *11:45-12:30 ''' | + | *11:45-12:30 '''Short talks''' (15-20 min...) |
'''Afternoon Session: Further development of NMReDATA''' | '''Afternoon Session: Further development of NMReDATA''' | ||
Line 51: | Line 63: | ||
''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''' | + | *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 | + | *14:45 - 16:30 '''Short Initiative organization presentation / Discussion''' |
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Revision as of 16:51, 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
- 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
- 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