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Procedures for systematic capture and management of analytical data in academia

Potthoff, J.; Tremouilhac, P.; Hodapp, P.; Neumair, B.; Bräse, S.; Jung, N.

Data management in universities is a challenging endeavor in particular due to the diverse infrastructure of devices and software in combination with limited budget. Nevertheless, in particular the analytical measurements and data sets need to be stored if possible digitally and in a well-organized manner. This manuscript describes how scientists can achieve a data management workflow focusing on data capture and storage by small adaptions to commonly used systems. The presented method includes data transfer options from ubiquitous devices like NMR instruments, GC (MS) or LC (MS), IR and Raman, or mass spectrometers to a central server and the visualization of the available data files in an electronic lab notebook (ELN). The given instruments were chosen according to the needs of synthetic chemists, in particular devices needed in organic, inorganic and polymer chemistry where single data files in the range of several megabytes per data set are produced. Altogether, three different data transfer systems were elaborated to allow a flexible handling of different devices running with different proprietary software: The first procedure allows data capture via the use of a mail server as data exchange point. ... mehr

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Verlagsausgabe §
DOI: 10.5445/IR/1000092753
Veröffentlicht am 16.04.2019
DOI: 10.1016/j.acax.2019.100007
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Organische Chemie (IOC)
Institut für Toxikologie und Genetik (ITG)
Steinbuch Centre for Computing (SCC)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2019
Sprache Englisch
Identifikator ISSN: 2590-1346
KITopen-ID: 1000092753
HGF-Programm 47.01.01 (POF III, LK 01) Biol.Netzwerke u.Synth.Regulat. ITG+ITC
Erschienen in Analytica Chimica Acta: X
Band 1
Seiten Article: 100007
Vorab online veröffentlicht am 15.02.2019
Nachgewiesen in Scopus
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