Application of the filter diagonalization method to one- and two-dimensional NMR spectra

被引:100
作者
Mandelshtam, VA
Taylor, HS
Shaka, AJ [1 ]
机构
[1] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA
[2] Univ So Calif, Dept Chem, Los Angeles, CA 90089 USA
基金
美国国家科学基金会;
关键词
filter diagonalization method (FDM); linear prediction; 2D NMR data processing; J spectroscopy; phase-twist lineshape;
D O I
10.1006/jmre.1998.1476
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
A new non-Fourier data processing algorithm, the filter diagonalization method (FDM), is presented and applied to phase-sensitive 1D and 2D NMR spectra. FDM extracts parameters (peak positions, linewidths, amplitudes, and phases) directly from the time-domain data by fitting the data to a sum of damped complex sinusoids. Grounded in a quantum-mechanical formalism, FDM shares some of the features of linear prediction and other linear algebraic approaches, but is numerically more efficient, scaling like the fast Fourier transform algorithm with respect to data size, and has the ability to correctly handle spectra with thousands or even millions of lines where the competing methods break down. Results obtained on complex spectra are promising. (C) 1998 Academic Press.
引用
收藏
页码:304 / 312
页数:9
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