Non-uniform HYSCORE: Measurement, processing and analysis with Hyscorean

Luis Fábregas Ibáñez; Janne Soetbeer; Daniel Klose; Matthias Tinzl; Donald Hilvert; Gunnar Jeschke

doi:10.1016/j.jmr.2019.106576

Non-uniform HYSCORE: Measurement, processing and analysis with Hyscorean

J Magn Reson. 2019 Oct:307:106576. doi: 10.1016/j.jmr.2019.106576. Epub 2019 Aug 19.

Authors

Luis Fábregas Ibáñez¹, Janne Soetbeer¹, Daniel Klose¹, Matthias Tinzl², Donald Hilvert², Gunnar Jeschke³

Affiliations

¹ ETH Zurich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland.
² ETH Zurich Laboratory of Organic Chemistry, Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.
³ ETH Zurich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zurich, Switzerland. Electronic address: gjeschke@ethz.ch.

PMID: 31450188
DOI: 10.1016/j.jmr.2019.106576

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.

Keywords: CAMERA; EPR; HYSCORE; IST; NUS; NUS HYSCORE; Non-uniform sampling; maxEnt.

Publication types

Research Support, Non-U.S. Gov't