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

• Published in: Journal of magnetic resonance (1997) Vol. 307; p. 106576
• Main Authors: Fábregas Ibáñez, Luis, Soetbeer, Janne, Klose, Daniel, Tinzl, Matthias, Hilvert, Donald, Jeschke, Gunnar
• Format: Journal Article
• Language: English
• Published: United States Elsevier Inc 01.10.2019
• Subjects: CAMERA; EPR; HYSCORE; IST; maxEnt; Non-uniform sampling; NUS; NUS HYSCORE; HYSCORE; EPR; Non-uniform sampling; maxEnt; CAMERA; NUS HYSCORE; IST; NUS
• ISSN: 1090-7807; 1096-0856
• DOI: 10.1016/j.jmr.2019.106576

[Display omitted] •Implementation of non-uniform sampled (NUS) HYSCORE for commercial Bruker spectrometers.•Benchmarking of reconstruction methods: quasi-linear vs. non-linear.•Constant-λ CAMERA reconstruction should be operated non-linearly for noisy signals.•Spectral symmetrization and validation to reduce uncertainty introduced by NUS.•The software Hyscorean implements all processing and fitting tools required by HYSCORE. 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.