DEER data analysis software : a comparative guide

Pulsed Dipolar Spectroscopy (PDS) Electron Paramagnetic Resonance (EPR) experiments are popular techniques to measure dipolar coupling and therefore nanometre-scale distances and distance distributions between paramagnetic centres. The most common experiment is Double Electron Electron Resonance (DEER, also known as PELDOR), which is a well-tested and documented experiment. Until recently there were few methods to analyze data, however this has changed of late. The current plethora of DEER analysis packages may appear overwhelming to a new practitioner of DEER. In this work, six of the most popular packages are reviewed. This includes a brief guide for getting started with the environments, and qualitative testing and comparison of each using both simulated and experimental DEER data.

Citation

Russell , H , Cura , R & Lovett , J E 2022 , ' DEER data analysis software : a comparative guide ' , Frontiers in Molecular Biosciences , vol. 9 , 915167 . https://doi.org/10.3389/fmolb.2022.915167

Publication

Frontiers in Molecular Biosciences

Status

Peer reviewed

DOI

https://doi.org/10.3389/fmolb.2022.915167

ISSN

2296-889X

Type

Journal article

Rights

Copyright © 2022 Russell, Cura and Lovett. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

Description

We acknowledge financial support from EPSRC (studentship to HR EP/R513337/1 and The Royal Society (URF to JEL UR150698F). The UKRI block grant to St Andrews supported the journal charges for open access.