Universität zu Köln

Kuhn, Stefan ORCID: 0000-0002-5990-4157 and Schloerer, Nils E. (2015). Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2-a free in-house NMR database with integrated LIMS for academic service laboratories. Magn. Reson. Chem., 53 (8). S. 582 - 590. HOBOKEN: WILEY. ISSN 1097-458X

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Abstract

nmrshiftdb2 supports with its laboratory information management system the integration of an electronic lab administration and management into academic NMR facilities. Also, it offers the setup of a local database, while full access to nmrshiftdb2's World Wide Web database is granted. This freely available system allows on the one hand the submission of orders for measurement, transfers recorded data automatically or manually, and enables download of spectra via web interface, as well as the integrated access to prediction, search, and assignment tools of the NMR database for lab users. On the other hand, for the staff and lab administration, flow of all orders can be supervised; administrative tools also include user and hardware management, a statistic functionality for accounting purposes, and a 'QuickCheck' function for assignment control, to facilitate quality control of assignments submitted to the (local) database. Laboratory information management system and database are based on a web interface as front end and are therefore independent of the operating system in use. Copyright (C) 2015 John Wiley & Sons, Ltd.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Kuhn, Stefan UNSPECIFIED orcid.org/0000-0002-5990-4157 UNSPECIFIED Schloerer, Nils E. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-397426
DOI:	10.1002/mrc.4263
Journal or Publication Title:	Magn. Reson. Chem.
Volume:	53
Number:	8
Page Range:	S. 582 - 590
Date:	2015
Publisher:	WILEY
Place of Publication:	HOBOKEN
ISSN:	1097-458X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language DATA REPOSITORIES; IDENTIFICATION; CHEMISTRY; JOURNALS; CSEARCH Multiple languages Chemistry, Multidisciplinary; Chemistry, Physical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/39742