ETH Zurich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
ETH Zurich Laboratory of Organic Chemistry, Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.
J Magn Reson. 2019 Oct;307:106576. doi: 10.1016/j.jmr.2019.106576. Epub 2019 Aug 19.
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.
非均匀采样(NUS)可显著减少测量时间,尤其适用于多维实验。但该方法需要额外的信号处理步骤,以便从实验数据点重建完整信号。尽管 NMR 中已广泛应用 NUS 技术,但由于缺乏在常见商用光谱仪中执行 NUS 的直接方法,EPR 应用并未从中受益。在这项工作中,我们提出了一种在商用 Bruker EPR 光谱仪上执行 NUS HYSCORE 实验的新方法,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呈现:Hyscorean。使用此软件包,我们使用不同的重建方法测量和处理实验 NUS 光谱,并将其与均匀采样光谱进行比较,从而展示了该方法在 EPR 光谱学中的潜力。