Show simple item record

Files in this item


Item metadata

dc.contributor.authorRussell, Hannah
dc.contributor.authorCura, Robyn
dc.contributor.authorLovett, Janet E.
dc.identifier.citationRussell , H , Cura , R & Lovett , J E 2022 , ' DEER data analysis software : a comparative guide ' , Frontiers in Molecular Biosciences , vol. 9 , 915167 .
dc.identifier.otherPURE: 279545989
dc.identifier.otherPURE UUID: fb028d2f-b1c8-4685-abce-272f118f329e
dc.identifier.otherORCID: /0000-0002-3561-450X/work/114023321
dc.identifier.otherScopus: 85132844151
dc.descriptionWe 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.en
dc.description.abstractPulsed 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.
dc.relation.ispartofFrontiers in Molecular Biosciencesen
dc.rightsCopyright © 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.en
dc.subjectPulsed dipolar spectroscopyen
dc.subjectTikhonov regularizationen
dc.subjectNeural networksen
dc.subjectGaussian modelsen
dc.subjectQA76 Computer softwareen
dc.subjectQC Physicsen
dc.titleDEER data analysis software : a comparative guideen
dc.typeJournal articleen
dc.contributor.sponsorThe Royal Societyen
dc.description.versionPublisher PDFen
dc.contributor.institutionUniversity of St Andrews. School of Physics and Astronomyen
dc.contributor.institutionUniversity of St Andrews. Biomedical Sciences Research Complexen
dc.description.statusPeer revieweden

This item appears in the following Collection(s)

Show simple item record