Data sampling in multidimensional NMR: fundamentals and strategies.

Data sampling in multidimensional NMR: fundamentals and strategies.
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DOI:
10.1007/128_2011_185
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发表时间:
2012
影响因子:
8.6
通讯作者:
Hoch JC
Hoch JC
中科院分区:
化学2区
文献类型:
--
作者:
Maciejewski MW;Mobli M;Schuyler AD;Stern AS;Hoch JC

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从1966年Ernst和安德森引入傅里叶变换NMR开始,脉冲响应(自由感应衰减)的时域测量包括以一系列离散间隔对信号进行采样。为了与离散傅立叶变换兼容,间隔保持一致,并且奈奎斯特定理规定了足以避免混叠的间隔的最大值。随着Jeener提出的参数采样沿着间接时间维度的建议,多维实验的扩展采用了一维中使用的相同采样技术,类似地服从奈奎斯特条件并适合于通过离散傅立叶变换进行处理。从短数据记录中获得高分辨率光谱估计的挑战已经得到了很好的理解,尽管有线性预测外推等技术,但间接维度中可实现的分辨率受到测量时间的实际限制。能够处理非均匀采样数据的频谱分析方法的出现导致了新的采样策略的发展爆炸,避免了均匀采样对分辨率和测量时间的限制。在这一章中,我们将回顾一维和多维NMR中均匀和非均匀采样方法的基本原理。
Beginning with the introduction of Fourier Transform NMR by Ernst and Anderson in 1966, time domain measurement of the impulse response (the free induction decay) consisted of sampling the signal at a series of discrete intervals. For compatibility with the discrete Fourier transform, the intervals are kept uniform, and the Nyquist theorem dictates the largest value of the interval sufficient to avoid aliasing. With the proposal by Jeener of parametric sampling along an indirect time dimension, extension to multidimensional experiments employed the same sampling techniques used in one dimension, similarly subject to the Nyquist condition and suitable for processing via the discrete Fourier transform. The challenges of obtaining high-resolution spectral estimates from short data records were already well understood, and despite techniques such as linear prediction extrapolation, the achievable resolution in the indirect dimensions is limited by practical constraints on measuring time. The advent of methods of spectrum analysis capable processing nonuniformly sampled data has lead to an explosion in the development of novel sampling strategies that avoid the limits on resolution and measurement time imposed by uniform sampling. In this chapter we review the fundamentals of uniform and nonuniform sampling methods in one and multidimensional NMR.
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