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Research Article
Automatic phase correction of 2D NMR spectra by a whitening method
Article first published online: 3 FEB 2009
DOI: 10.1002/mrc.2394
Copyright © 2009 John Wiley & Sons, Ltd.
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Additional Information
How to Cite
Balacco, G. and Cobas, C. (2009), Automatic phase correction of 2D NMR spectra by a whitening method. Magnetic Resonance in Chemistry, 47: 322–327. doi: 10.1002/mrc.2394
Publication History
- Issue published online: 4 MAR 2009
- Article first published online: 3 FEB 2009
- Manuscript Accepted: 29 NOV 2008
- Manuscript Revised: 30 OCT 2008
- Manuscript Received: 16 SEP 2008
- Abstract
- References
- Cited By
Keywords:
- NMR;
- phase correction;
- 2D;
- automatic processing;
- whitening
Graphical Abstract
A new method for the automatic phase correction of multidimensional NMR spectra is described. It is based on the whitening concept formulated as the 'maximization of the number of white pixels into a bitmap that corresponds to the spectrum'. The algorithm can efficiently phase either homonuclear or heteronuclear experiments and, unlike other previous methods, it can also process automatically spectra containing positive or negative peaks so that it is not necessary to deal with individual or special cases.
Abstract
A new method for the automatic phase correction of multidimensional NMR spectra is described. It is based on the whitening concept formulated as the ‘maximization of the number of white pixels into a bitmap that corresponds to the spectrum’. This process of maximization can be factorized along the individual axes of the spectrum and this property makes the method robust and fast. It employs a statistic measure based on a large number of spectral data points and, for this reason, is very tolerant to low signal-to-noise ratio (SNR) and local artifacts. The algorithm can efficiently phase either homonuclear or heteronuclear experiments and, unlike other previous methods, it can also process automatically spectra containing positive or negative peaks so that it is not necessary to deal with individual or special cases Copyright © 2009 John Wiley & Sons, Ltd.