High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN.
High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN.
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DOI：
10.1007/s10858-008-9275-x
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发表时间：
2008-12
影响因子：
2.7
通讯作者：
Zhou P
中科院分区：
文献类型：
--
作者：
Coggins BE;Zhou P
最近的努力，以减少多维NMR实验的测量时间，促进了各种新的程序的采样和数据处理的发展。我们最近描述了同心环采样的3-D NMR实验，这是上级径向采样作为输入处理的多维离散傅立叶变换。在这里，我们报告扩展这种方法的4-D光谱随机同心壳采样（RCSS），其中采样点的间接尺寸定位在同心壳，并在角空间中的随机旋转，以避免相干的文物。通过模拟，我们表明，RCSS产生的文物非常低的水平，即使采样点的数量非常有限。RCSS采样模式可以适用于精细的矩形网格，以允许在数据处理中使用快速傅立叶变换，而不会明显增加伪影水平。使用射电天文学中开发的迭代CLEAN算法，可以将这些伪影进一步降低到噪声水平。我们证明了这些方法的高分辨率4-D HCCH-TOCSY光谱的蛋白G的B1域，仅使用1.2%的采样，将需要传统的这种分辨率。使用多维FFT代替慢速DFT进行初始数据处理和后续CLEAN显著减少了计算时间，产生与真实频谱噪声水平相当的伪影水平。
Recent efforts to reduce the measurement time for multidimensional NMR experiments have fostered the development of a variety of new procedures for sampling and data processing. We recently described concentric ring sampling for 3-D NMR experiments, which is superior to radial sampling as input for processing by a multidimensional discrete Fourier transform. Here, we report the extension of this approach to 4-D spectroscopy as Randomized Concentric Shell Sampling (RCSS), where sampling points for the indirect dimensions are positioned on concentric shells, and where random rotations in the angular space are used to avoid coherent artifacts. With simulations, we show that RCSS produces a very low level of artifacts, even with a very limited number of sampling points. The RCSS sampling patterns can be adapted to fine rectangular grids to permit use of the Fast Fourier Transform in data processing, without an apparent increase in the artifact level. These artifacts can be further reduced to the noise level using the iterative CLEAN algorithm developed in radioastronomy. We demonstrate these methods on the high resolution 4-D HCCH-TOCSY spectrum of protein G's B1 domain, using only 1.2% of the sampling that would be needed conventionally for this resolution. The use of a multidimensional FFT instead of the slow DFT for initial data processing and for subsequent CLEAN significantly reduces the calculation time, yielding an artifact level that is on par with the level of the true spectral noise.
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影响因子：
15
作者：
Coggins, BE;Venters, RA;Zhou, P
通讯作者：
Zhou, P
影响因子：
0.6
作者：
Freeman, R;Kupce, E
通讯作者：
Kupce, E
DOI：
10.1073/pnas.0504818102
发表时间：
2005-08-02
影响因子：
11.1
作者：
Hiller, S;Fiorito, F;Wider, G
通讯作者：
Wider, G
影响因子：
2.2
作者：
Kazimierczuk, Krzysztof;Zawadzka, Anna;Kozminski, Wiktor
通讯作者：
Kozminski, Wiktor
影响因子：
2.7
作者：
DELAGLIO, F;GRZESIEK, S;BAX, A
通讯作者：
BAX, A