Non-uniform HYSCORE: Measurement, processing and analysis with Hyscorean
Non-uniform HYSCORE: Measurement, processing and analysis with Hyscorean
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DOI：
10.1016/j.jmr.2019.106576
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发表时间：
2019-10-01
影响因子：
2.2
通讯作者：
Jeschke, Gunnar
中科院分区：
文献类型：
--
作者：
Ibanez, Luis Fabregas;Soetbeer, Janne;Jeschke, Gunnar
非均匀采样 (NUS) 可以显着减少测量时间，尤其是对于多维实验。这是以额外的信号处理步骤为代价的，以从实验数据点重建完整的信号。尽管在许多实验中常规用于 NMR，但 EPR 应用并未从 NUS 中受益，因为缺乏在常见商业光谱仪中执行 NUS 的直接实现。在这项工作中，我们提出了一种在商用布鲁克 EPR 光谱仪上执行 NUS HYSCORE 实验的新颖方法，以及现代重建方法的基准，以及用于 NUS HYSCORE 信号的新处理软件工具。所有这些都以免费软件包的形式出现：Hyscorean。使用该软件包使用不同的重建方法测量和处理实验 NUS 光谱，并与均匀采样的对应光谱进行比较，从而展示了该方法在 EPR 光谱方面的潜力。 (C) 2019 作者。由爱思唯尔公司出版
Non-uniform sampling (NUS) provides a considerable reduction of measurement time especially for multi-dimensional experiments. This comes at the cost of additional signal processing steps to reconstruct the complete signal from the experimental data points. Despite being routinely employed in NMR for many experiments, EPR applications have not benefited from NUS due to the lack of a straightforward implementation to perform NUS in common commercial spectrometers. In this work we present a novel method to perform NUS HYSCORE experiments on commercial Bruker EPR spectrometers, along with a benchmark of modern reconstruction methods, and new processing software tools for NUS HYSCORE signals. All of this comes in the form of a free-software package: Hyscorean. Experimental NUS spectra are measured and processed with this package using different reconstruction methods and compared to their uniform sampled counterparts, thereby showcasing the method's potential for EPR spectroscopy. (C) 2019 The Author(s). Published by Elsevier Inc.