Automatic phase correction of 2D NMR spectra by a whitening method

✍ Scribed by Giuseppe Balacco; Carlos Cobas

• Publisher: John Wiley and Sons
• Year: 2009
• Tongue: English
• Weight: 496 KB
• Volume: 47
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/mrc.2394

✦ Synopsis

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.