Show simple item record

dc.contributor.authorKuhn, Stefanen
dc.contributor.authorSchloerer, N.E.en
dc.date.accessioned2019-01-23T10:45:40Z
dc.date.available2019-01-23T10:45:40Z
dc.date.issued2015-05-21
dc.identifier.citationKuhn, S., Schloerer, N.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. Magnetic Resonance in Chemistry, 53, pp.582–589.en
dc.identifier.urihttp://hdl.handle.net/2086/17475
dc.descriptionThe Publisher's final version can be found by following the DOI link.en
dc.description.abstractnmrshiftdb2 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.en
dc.language.isoenen
dc.publisherWileyen
dc.subjectNMRen
dc.subjectlab administration systemen
dc.subjectLIMSen
dc.subjectNMR databaseen
dc.subjectassignment quality controlen
dc.subjectpredictionen
dc.subjectstructure verificationen
dc.subjectnmrshiftdb2en
dc.titleFacilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 – a free in-house NMR database with integrated LIMS for academic service laboratoriesen
dc.typeArticleen
dc.identifier.doihttps://doi.org/10.1002/mrc.4263
dc.peerreviewedYesen
dc.funderN/Aen
dc.projectidN/Aen
dc.cclicenceN/Aen
dc.date.acceptance2015-04-20en
dc.researchinstituteCyber Technology Institute (CTI)en
dc.exception.ref2021codes254aen


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record