Graphical User Interface Design of the EPR Spectra Simulation Software EasySpin

doi:10.11938/cjmr20223017

Abstract

Abstract:

EasySpin is a popular software for simulating and fitting a wide range of electron paramagnetic resonance (EPR) spectra, and LabVIEW is a graphical programming language development environment. This paper introduces a graphical user interface (GUI) LV-EasySpin that is designed by using LabVIEW for EasySpin. LV-EasySpin provides an intuitive way to visually simulate and fit EPR multicomponent spectra. Through various examples, the design idea and implementation scheme of the GUI are illustrated in the paper. We hope this simple and easy-to-operate interface LV-EasySpin will reduce the difficulty for users analyzing EPR spectra.

Key words: electron paramagnetic resonance spectra, simulation/fit, EasySpin graphical user interface, LabVIEW, MATLAB

CLC Number:

O482.53

LI Jingxin,TONG Wei. Graphical User Interface Design of the EPR Spectra Simulation Software EasySpin[J]. Chinese Journal of Magnetic Resonance, 2023, 40(1): 100-110.

Figures/Tables 10

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References 12

[1]	卢景雰. 现代电子顺磁共振波谱学及其应用[M]. 北京: 北京大学医学出版社, 2012.
[2]	YAN C X, LIU Y L, JIAO L, et al. Study on mathematical simulation of electron paramagnetic resonance (EPR) spectrum analysis of nail[J]. Radiation Protection, 2021, 41(3): 210-217.
	阎长鑫, 刘玉连, 焦玲, 等. 指甲电子顺磁共振(EPR)波谱解析的数学模拟研究[J]. 辐射防护, 2021, 41(3): 210-217.
[3]	ZHAN R Y, LIU Y Y, LIU G Z, et al. ESR simulation of solution free radical[J]. Chinese J Magn Reson, 1993, 10(2): 205-210.
	詹瑞云, 刘雅言, 刘桂珍, 等. 溶液自由基ESR谱的计算机模拟[J]. 波谱学杂志, 1993, 10(2): 205-210.
[4]	XIANG Z M, XU D J, XU Y Z. A software for EPR simulations[J]. Chinese J Magn Reson, 1998, 15(2): 183-188.
	向智敏, 徐端钧, 徐元植. 一种EPR谱图模拟软件的研制[J]. 波谱学杂志, 1998, 15(2): 183-188.
[5]	HAGEN W R. Biomolecular EPR spectroscopy[M]. Boca Raton: CRC Press, 2009.
[6]	STOLL S, SCHWEIGER A. EasySpin, a comprehensive software package for spectral simulation and analysis in EPR[J]. J Magn Reson, 2006, 178(1): 42-55 doi: 10.1016/j.jmr.2005.08.013 pmid: 16188474
[7]	STOLL S, BRIT R D. General and efficient simulation of pulse EPR spectra[J]. Phys Chem Chem Phys, 2009, 11: 6614-6625. doi: 10.1039/b907277b pmid: 19639136
[8]	STOLL S. EasySpin: a software package for the computation of EPR and ENDOR spectra EPR[N]. EPR Newsletter, 2003, 13(1-2): 24-26.
[9]	修改自互联网上一公开程序. https://forums.ni.com/t5/Example-Code/LabVIEW-Periodic-Table/ta-p/3505605.
[10]	苏吉虎, 杜江峰. 电子顺磁共振波谱[M]. 北京: 科学出版社, 2022.
[11]	ZHU F, WANG L, YU H J, et al. Recent progresses in ESR studies on catalysts for olefin polymerization[J]. Chinese J Magn Reson, 2011, 28(4): 551-563.
	朱峰, 王立, 俞豪杰, 等. 烯烃聚合催化剂的ESR研究进展[J]. 波谱学杂志, 2011, 28(4): 551-563.
[12]	FRANCO D F, MANZANI D, CARVAJAL E E, et al. Optical and EPR studies of zinc phosphate glasses containing Mn²⁺ ions[J]. J Mater Sci, 2020, 55: 9948-9961. doi: 10.1007/s10853-020-04725-0