caa a22 4500 445325712 CHVBK 20180317142719.0 cr unu---uuuuu 170323e20110501xx s 000 0 eng 10.1007/s10858-011-9497-1 doi (NATIONALLICENCE)springer-10.1007/s10858-011-9497-1 CONNJUR spectrum translator: an open source application for reformatting NMR spectral data [Elektronische Daten] [Ronald Nowling, Jay Vyas, Gerard Weatherby, Matthew Fenwick, Heidi Ellis, Michael Gryk] NMR spectroscopists are hindered by the lack of standardization for spectral data among the file formats for various NMR data processing tools. This lack of standardization is cumbersome as researchers must perform their own file conversion in order to switch between processing tools and also restricts the combination of tools employed if no conversion option is available. The CONNJUR Spectrum Translator introduces a new, extensible architecture for spectrum translation and introduces two key algorithmic improvements. This first is translation of NMR spectral data (time and frequency domain) to a single in-memory data model to allow addition of new file formats with two converter modules, a reader and a writer, instead of writing a separate converter to each existing format. Secondly, the use of layout descriptors allows a single fid data translation engine to be used for all formats. For the end user, sophisticated metadata readers allow conversion of the majority of files with minimum user configuration. The open source code is freely available at http://connjur.sourceforge.net for inspection and extension. The Author(s), 2011 FID nationallicence Spectrum nationallicence Software nationallicence Conversion nationallicence CONNJUR nationallicence Reconstruction nationallicence Nowling Ronald Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut Vyas Jay Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut Weatherby Gerard Department of Computer Science/Information Technology, Western New England College, 1215 Wilbraham Road, 01119, Springfield, MA, USA aut Fenwick Matthew Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut Ellis Heidi Department of Computer Science/Information Technology, Western New England College, 1215 Wilbraham Road, 01119, Springfield, MA, USA aut Gryk Michael Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut Journal of Biomolecular NMR Springer Netherlands 50/1(2011-05-01), 83-89 0925-2738 50:1<83 2011 50 10858 https://doi.org/10.1007/s10858-011-9497-1 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10858-011-9497-1 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Nowling Ronald Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut NATIONALLICENCE 700 1- Vyas Jay Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut NATIONALLICENCE 700 1- Weatherby Gerard Department of Computer Science/Information Technology, Western New England College, 1215 Wilbraham Road, 01119, Springfield, MA, USA aut NATIONALLICENCE 700 1- Fenwick Matthew Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut NATIONALLICENCE 700 1- Ellis Heidi Department of Computer Science/Information Technology, Western New England College, 1215 Wilbraham Road, 01119, Springfield, MA, USA aut NATIONALLICENCE 700 1- Gryk Michael Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, 06030, Farmington, CT, USA aut NATIONALLICENCE 773 0- Journal of Biomolecular NMR Springer Netherlands 50/1(2011-05-01), 83-89 0925-2738 50:1<83 2011 50 10858 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer