Abstract
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.
Highlights
In EPR spectroscopy, multi-dimensional experiments, foremost the two-dimensional hyperfine sublevel correlation (HYSCORE) experiment, play a pivotal role in the study of hyperfine couplings in a variety of electron-nuclear spin systems [1]
We present a good example of a stable Non-uniform sampling (NUS) HYSCORE measurement, where significant reduction in measurement time could be achieved without introducing additional uncertainty into the spectrum
In this work we have presented a novel method for the acquisition of NUS HYSCORE spectra on commercial Bruker EPR spectrometers, thereby opening the field of EPR to the NUS techniques
Summary
In EPR spectroscopy, multi-dimensional experiments, foremost the two-dimensional hyperfine sublevel correlation (HYSCORE) experiment, play a pivotal role in the study of hyperfine couplings in a variety of electron-nuclear spin systems [1]. To remove the sampling artifacts and obtain the true spectrum, non-Fourier methods of spectral analysis must be employed. Such methods aim to reconstruct the missing points in the signal via some optimization of a regularization functional, subject to a data consistency constraint. All these new developments come integrated in a new free-software package: Hyscorean It generates NUS schedules, provides PulseSPEL programms for NUS measurements on Bruker spectrometers and can perform full processing and analysis of uniform and non-uniform sampled HYSCORE spectra
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