Applications of non-uniform sampling and processing.
Applications of non-uniform sampling and processing.
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DOI：
10.1007/128_2011_187
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发表时间：
2012
影响因子：
8.6
通讯作者：
Wagner, Gerhard
中科院分区：
文献类型：
--
作者：
Hyberts, Sven G.;Arthanari, Haribabu;Wagner, Gerhard
现代高场NMR仪器提供了前所未有的分辨率。为了利用多维NMR实验中的分辨能力，通过间接维度标准线性采样到最大最佳演化时间（~ 1.2T2）是不实际的，因为它需要极长的测量时间。因此，在过去的二十年中，已经提出了替代抽样方法。最初，建议采用具有指数递减采样密度的随机非线性采样，并采用最大熵算法对数据进行转换。与此同时，还提出了许多其他程序。很明显，光谱的质量在很大程度上取决于采样时间表和数据重建算法。在这里，我们使用前向最大熵（FM）重建方法来评估几个替代的采样时间表。在当前阶段，多维NMR光谱，没有一个严重的动态范围的问题，如用于顺序分配的三重共振实验，很容易记录和忠实地重建使用非均匀采样。因此，这些实验都可以不均匀地记录，以利用现代仪器的力量。另一方面，对于具有大动态范围的光谱，例如3D和4D NOESY，如果想要恢复非常弱的峰，则选择最佳采样时间表和最佳重建方法至关重要。因此，本文的重点是选择高动态范围光谱的最佳采样方案和处理方法。
Modern high-field NMR instruments provide unprecedented resolution. To make use of the resolving power in multidimensional NMR experiment standard linear sampling through the indirect dimensions to the maximum optimal evolution times (~ 1.2 T2) is not practical because it would require extremely long measurement times. Thus, alternative sampling methods have been proposed during the past twenty years. Originally, random non-linear sampling with an exponentially decreasing sampling density was suggested, and data were transformed with a maximum entropy algorithm. Numerous other procedures have been proposed in the meantime. It has become obvious that the quality of spectra depends crucially on the sampling schedules and the algorithms of data reconstruction. Here we use the forward maximum entropy (FM) reconstruction method to evaluate several alternate sampling schedules. At the current stage, multidimensional NMR spectra that do not have a serious dynamic range problem, such as triple resonance experiments used for sequential assignments, are readily recorded and faithfully reconstructed using non-uniform sampling. Thus, these experiments can all be recorded non-uniformly to utilize the power of modern instruments. On the other hand, for spectra with a large dynamic range, such as 3D and 4D NOESYs, choosing optimal sampling schedules and the best reconstruction method is crucial if one wants to recover very weak peaks. Thus, this article is focused on selecting the best sampling schedules and processing methods for high-dynamic range spectra.
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影响因子：
15
作者：
Hyberts, Sven G.;Takeuchi, Koh;Wagner, Gerhard
通讯作者：
Wagner, Gerhard
影响因子：
15
作者：
Coggins, BE;Venters, RA;Zhou, P
通讯作者：
Zhou, P
影响因子：
2.7
作者：
Hyberts SG;Frueh DP;Arthanari H;Wagner G
通讯作者：
Wagner G
影响因子：
15
作者：
Frueh, Dominique P.;Arthanari, Haribabu;Wagner, Gerhard
通讯作者：
Wagner, Gerhard
影响因子：
2.7
作者：
Marion, D
通讯作者：
Marion, D