Universität zu Köln

Patiny, Luc ORCID: 0000-0002-4943-2643, Zasso, Michael, Kostro, Daniel, Bernal, Andres ORCID: 0000-0003-1668-7225, Castillo, Andres M., Bolanos, Alejandro, Asencio, Miguel A., Pellet, Norman, Todd, Matthew ORCID: 0000-0001-7096-4751, Schloerer, Nils, Kuhn, Stefan ORCID: 0000-0002-5990-4157, Holmes, Elaine ORCID: 0000-0002-0556-8389, Javor, Sacha and Wist, Julien ORCID: 0000-0002-3416-2572 (2018). The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public. Magn. Reson. Chem., 56 (6). S. 520 - 529. HOBOKEN: WILEY. ISSN 1097-458X

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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 Massachusetts Institute of Technology (MIT) licence.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Patiny, Luc UNSPECIFIED orcid.org/0000-0002-4943-2643 UNSPECIFIED Zasso, Michael UNSPECIFIED UNSPECIFIED UNSPECIFIED Kostro, Daniel UNSPECIFIED UNSPECIFIED UNSPECIFIED Bernal, Andres UNSPECIFIED orcid.org/0000-0003-1668-7225 UNSPECIFIED Castillo, Andres M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Bolanos, Alejandro UNSPECIFIED UNSPECIFIED UNSPECIFIED Asencio, Miguel A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Pellet, Norman UNSPECIFIED UNSPECIFIED UNSPECIFIED Todd, Matthew UNSPECIFIED orcid.org/0000-0001-7096-4751 UNSPECIFIED Schloerer, Nils UNSPECIFIED UNSPECIFIED UNSPECIFIED Kuhn, Stefan UNSPECIFIED orcid.org/0000-0002-5990-4157 UNSPECIFIED Holmes, Elaine UNSPECIFIED orcid.org/0000-0002-0556-8389 UNSPECIFIED Javor, Sacha UNSPECIFIED UNSPECIFIED UNSPECIFIED Wist, Julien UNSPECIFIED orcid.org/0000-0002-3416-2572 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-184347
DOI:	10.1002/mrc.4669
Journal or Publication Title:	Magn. Reson. Chem.
Volume:	56
Number:	6
Page Range:	S. 520 - 529
Date:	2018
Publisher:	WILEY
Place of Publication:	HOBOKEN
ISSN:	1097-458X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SPECTRA Multiple languages Chemistry, Multidisciplinary; Chemistry, Physical; Spectroscopy Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/18434