DEER Data Analysis Software: A Comparative Guide
Hannah Russell, Robyn Cura, Janet E. Lovett
Abstract
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.
Topics & Concepts
Measure (data warehouse)Nuclear magnetic resonancePulse sequenceParamagnetismDipoleElectron paramagnetic resonanceCoupling (piping)Electron paramagnetic resonance spectroscopyResonance (particle physics)PhysicsMaterials scienceComputer scienceAtomic physicsCondensed matter physicsData miningMetallurgyQuantum mechanicsElectron Spin Resonance StudiesAdvanced NMR Techniques and ApplicationsNMR spectroscopy and applications