CONNJUR spectrum translator: an open source application for reformatting NMR spectral data

[nmrlearner]

CONNJUR spectrum translator: an open source application for reformatting NMR spectral data


Abstract 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.

• Content Type Journal Article
• Pages 1-7
• DOI 10.1007/s10858-011-9497-1
• Authors
  • Ronald J. Nowling, Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, Farmington, CT 06030, USA
  • Jay Vyas, Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, Farmington, CT 06030, USA
  • Gerard Weatherby, Department of Computer Science/Information Technology, Western New England College, 1215 Wilbraham Road, Springfield, MA 01119, USA
  • Matthew W. Fenwick, Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, Farmington, CT 06030, USA
  • Heidi J. C. Ellis, Department of Computer Science/Information Technology, Western New England College, 1215 Wilbraham Road, Springfield, MA 01119, USA
  • Michael R. Gryk, Department of Molecular, Microbial and Structural Biology, University of Connecticut Health Center, 263 Farmington Avenue, Farmington, CT 06030, USA

• • Journal Journal of Biomolecular NMR
  • Online ISSN 1573-5001
  • Print ISSN 0925-2738

Source: Journal of Biomolecular NMR