Journal Highlight: The C6H6 NMR repository: an integral solution to control the flow of your data from the magnet to the public

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  • Published: Oct 30, 2017
  • Author: spectroscopyNOW
  • Channels: NMR Knowledge Base
thumbnail image: Journal Highlight: The C6H6 NMR repository: an integral solution to control the flow of your data from the magnet to the public

A powerful toolbox built on recent technologies that runs inside the browser and provides a means to store, share, analyse and interact with original NMR data has been developed under MIT license to facilitate the sharing of NMR data.

The C6H6 NMR repository: an integral solution to control the flow of your data from the magnet to the public

Magnetic Resonance in Chemistry, 2017, online
Luc Patiny, Michaël Zasso, Daniel Kostro, Andrés Bernal, Andrés M. Castillo, Alejandro Bolaños, Miguel A. Asencio, Norman Pellet, Matthew Todd, Nils Schloerer, Stefan Kuhn, Elaine Holmes, Sacha Javor and Julien Wist

Abstract: NMR is a mature technique that is well established and adopted in a wide range of research facilities from laboratories to hospitals. This accounts for large amounts of valuable experimental data that may be readily exported into a standard and open format. Yet the publication of these data faces an important issue: raw data are not made available; instead, the information is slimed down into a string of characters (the list of peaks). Although historical limitations of technology explain this practice, it is not acceptable in the era of internet. The idea of modernizing the strategy for sharing NMR data is not new and some repositories exist, but sharing raw data is still not an established practice. Here we present a powerful toolbox built on recent technologies that runs inside the browser and provides a means to store, share, analyse and interact with original NMR data. Stored spectra can be streamlined into the publication pipeline, to improve the revision process for instance. The set of tools is still basic, but is intended to be extended. The project is open source under the MIT license.

  • This paper is free to view for all users registered on spectroscopyNOW.com until the end of January 2018.
    After this time, you can purchase it using Pay-Per-View on Wiley Online Library.

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