DEER Data Analysis Software: A Comparative Guide

Hannah Russell; Robyn Cura; Janet E. Lovett

doi:10.3389/fmolb.2022.915167

DEER Data Analysis Software: A Comparative Guide

Hannah Russell, Robyn Cura, Janet E. Lovett

Neuroscience

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

9 Downloads (Pure)

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.

Original language	English
Article number	915167
Number of pages	17
Journal	Frontiers in Molecular Biosciences
Volume	9
DOIs	https://doi.org/10.3389/fmolb.2022.915167
Publication status	Published - 1 Jun 2022

Keywords

EPR/ESR
DEER/PELDOR
pulsed dipolar spectroscopy
DeerAnalysis
DEERNet
Tikhonov regularization
neural networks
Gaussian models

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10.3389/fmolb.2022.915167Licence: CC BY

Final Published VersionFinal published version, 3.53 MBLicence: CC BY

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title = "DEER Data Analysis Software: A Comparative Guide",

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.",

keywords = "EPR/ESR, DEER/PELDOR, pulsed dipolar spectroscopy, DeerAnalysis, DEERNet, Tikhonov regularization, neural networks, Gaussian models",

author = "Hannah Russell and Robyn Cura and Lovett, \{Janet E.\}",

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TY - JOUR

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T2 - A Comparative Guide

AU - Russell, Hannah

AU - Cura, Robyn

AU - Lovett, Janet E.

PY - 2022/6/1

Y1 - 2022/6/1

N2 - 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.

AB - 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.

KW - EPR/ESR

KW - DEER/PELDOR

KW - pulsed dipolar spectroscopy

KW - DeerAnalysis

KW - DEERNet

KW - Tikhonov regularization

KW - neural networks

KW - Gaussian models

U2 - 10.3389/fmolb.2022.915167

DO - 10.3389/fmolb.2022.915167

M3 - Article

SN - 2296-889X

VL - 9

JO - Frontiers in Molecular Biosciences

JF - Frontiers in Molecular Biosciences

M1 - 915167

ER -

DEER Data Analysis Software: A Comparative Guide

Abstract

Keywords

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