Towards fully optimised and automated ESR spectroscopy

Towards fully optimised and automated ESR spectroscopy

To address the problems of instrumental imperfection and time-consuming experimental setup in electron spin resonance (ESR), we present ESR-POISE, a user-friendly software package for fully automated and fast on-the-fly optimisation and acquisition of ESR experiments. This open-source package interf...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2022-09, Vol.58 (76), p.1715-1718
Hauptverfasser: Verstraete, Jean-Baptiste, Yong, Jonathan R. J, Goodwin, David L, Myers, William K, Foroozandeh, Mohammadali
Format: Artikel
Sprache:eng
Schlagworte:
Electron paramagnetic resonance
Electron spin
Optimization
Software packages
Spin resonance
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Beschreibung
Zusammenfassung:To address the problems of instrumental imperfection and time-consuming experimental setup in electron spin resonance (ESR), we present ESR-POISE, a user-friendly software package for fully automated and fast on-the-fly optimisation and acquisition of ESR experiments. This open-source package interfaces with Bruker's Xepr software and allows scientists to run user-defined optimisations. ESR-POISE: a Python package for on-the-fly optimisation and automation of ESR experiments.
ISSN:1359-7345
1364-548X
DOI:10.1039/d2cc02742a