DEER Data Analysis Software: A Comparative Guide

Abstract

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Pulsed dipolar electron paramagnetic resonance (PDEPR) spectroscopy experiments measure the dipolar coupling, and therefore nanometer-scale distances and distance distributions, between paramagnetic centers. Of the family of PDEPR experiments, the most commonly used pulsed sequence is four-pulse double electron resonance (DEER, also known as PELDOR). There are several ways to analyze DEER data to extract distance distributions, and this may appear overwhelming at first. This work compares and reviews six of the packages, and a brief getting started guide for each is provided.

Keywords

• EPR/ESR
• DEER/PELDOR
• pulsed dipolar spectroscopy
• DeerAnalysis
• DEERNet
• Tikhonov regularization