Application of the filter diagonalization method to one- and two-dimensional NMR spectra
Application of the filter diagonalization method to one- and two-dimensional NMR spectra
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DOI：
10.1006/jmre.1998.1476
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发表时间：
1998-08-01
影响因子：
2.2
通讯作者：
Shaka, AJ
中科院分区：
文献类型：
--
作者：
Mandelshtam, VA;Taylor, HS;Shaka, AJ
提出了一种新的非傅立叶数据处理算法--滤波对角化法，并将其应用于相敏的一维和二维核磁共振谱。Fdm通过将数据拟合为衰减的复正弦和，直接从时间域数据中提取参数(峰值位置、线宽、幅度和相位)。基于量子力学形式论，FDM线性预测和其他线性代数方法的一些特征，但在数值上更有效，在数据大小方面像快速傅立叶变换算法一样进行扩展，并具有正确处理数千甚至数百万条线的光谱的能力，在竞争方法失败的情况下。在复光谱上得到的结果是有希望的。(C)1998年学术出版社。
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.