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CONNJUR spectrum translator: an open source application for reformatting NMR spectral data
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 restri...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
Springer Netherlands
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3085058/ https://www.ncbi.nlm.nih.gov/pubmed/21409563 http://dx.doi.org/10.1007/s10858-011-9497-1 |
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author | Nowling, Ronald J. Vyas, Jay Weatherby, Gerard Fenwick, Matthew W. Ellis, Heidi J. C. Gryk, Michael R. |
author_facet | Nowling, Ronald J. Vyas, Jay Weatherby, Gerard Fenwick, Matthew W. Ellis, Heidi J. C. Gryk, Michael R. |
author_sort | Nowling, Ronald J. |
collection | PubMed |
description | 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. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s10858-011-9497-1) contains supplementary material, which is available to authorized users. |
format | Text |
id | pubmed-3085058 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | Springer Netherlands |
record_format | MEDLINE/PubMed |
spelling | pubmed-30850582011-06-06 CONNJUR spectrum translator: an open source application for reformatting NMR spectral data Nowling, Ronald J. Vyas, Jay Weatherby, Gerard Fenwick, Matthew W. Ellis, Heidi J. C. Gryk, Michael R. J Biomol NMR Article 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. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s10858-011-9497-1) contains supplementary material, which is available to authorized users. Springer Netherlands 2011-03-16 2011 /pmc/articles/PMC3085058/ /pubmed/21409563 http://dx.doi.org/10.1007/s10858-011-9497-1 Text en © The Author(s) 2011 https://creativecommons.org/licenses/by-nc/4.0/This article is distributed under the terms of the Creative Commons Attribution Noncommercial License which permits any noncommercial use, distribution, and reproduction in any medium, provided the original author(s) and source are credited. |
spellingShingle | Article Nowling, Ronald J. Vyas, Jay Weatherby, Gerard Fenwick, Matthew W. Ellis, Heidi J. C. Gryk, Michael R. CONNJUR spectrum translator: an open source application for reformatting NMR spectral data |
title | CONNJUR spectrum translator: an open source application for reformatting NMR spectral data |
title_full | CONNJUR spectrum translator: an open source application for reformatting NMR spectral data |
title_fullStr | CONNJUR spectrum translator: an open source application for reformatting NMR spectral data |
title_full_unstemmed | CONNJUR spectrum translator: an open source application for reformatting NMR spectral data |
title_short | CONNJUR spectrum translator: an open source application for reformatting NMR spectral data |
title_sort | connjur spectrum translator: an open source application for reformatting nmr spectral data |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3085058/ https://www.ncbi.nlm.nih.gov/pubmed/21409563 http://dx.doi.org/10.1007/s10858-011-9497-1 |
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