Spectroscopy by integration of frequency and time domain information for fast acquisition of high-resolution dark spectra.

Spectroscopy by integration of frequency and time domain information for fast acquisition of high-resolution dark spectra.
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DOI:
10.1021/ja807893k
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发表时间:
2009-04-08
影响因子:
15
通讯作者:
Herzfeld J
Herzfeld J
中科院分区:
化学1区
文献类型:
--
作者:
Matsuki Y;Eddy MT;Herzfeld J

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一种简单有效的方法,介绍了用于处理非均匀采样多维NMR数据的sift(通过集成频率和时间域信息)。 SIFT在时间域中以已知的“黑暗”点(即空区)在频域中携带的信息补充数据,我们证明了这种快速整合不仅消除了傅立叶的严重伪噪声特征不均匀采样数据的转换,但也提供了使用频率信息来替换时间测量的强大过程。在信噪比和敏感性限制实验中的分辨率之间的折衷进行了不均匀的数据。 SIFT功能提供了一种新颖的,独立的,灵活的和用户友好的工具,可有效,准确地处理多维NMR数据。
A simple and effective method, SIFT (Spectroscopy by Integrating Frequency and Time domain information) is introduced for processing non-uniformly sampled multidimensional NMR data. Applying the computationally efficient Gerchberg-Papoulis (G-P) algorithm, used previously in picture processing and medical imaging, SIFT supplements data at non-uniform points in the time domain with the information carried by known “dark” points (i.e. empty regions) in the frequency domain. We demonstrate that this rapid integration not only removes the severe pseudo-noise characteristic of the Fourier transforms of non-uniformly sampled data, but also provides a robust procedure for using frequency information to replace time measurements. The latter can be used to avoid unnecessary sampling in sampling-limited experiments and the former can be used to take advantage of the ability of non-uniformly sampled data to minimize trade-offs between the signal-to-noise ratio and the resolution in sensitivity-limited experiments. Processing 2D and 3D datasets takes about 0.1 and 2 min, respectively, on a personal computer. With these several attractive features, SIFT offers a novel, model-independent, flexible, and user-friendly tool for efficient and accurate processing of multidimensional NMR data.
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