tgcd: An R package for analyzing thermoluminescence glow curves

Thermoluminescence (TL) glow curves are widely used in dosimetric studies. Many commercial and free-distributed programs are used to deconvolute TL glow curves. This study introduces an open-source R package tgcd to conduct TL glow curve analysis, such as kinetic parameter estimation, glow peak simu...

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Main Authors: Jun Peng, ZhiBao Dong, FengQing Han
Format: Article
Language:English
Published: Elsevier 2016-01-01
Series:SoftwareX
Online Access:http://www.sciencedirect.com/science/article/pii/S2352711016300140
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author Jun Peng
ZhiBao Dong
FengQing Han
author_facet Jun Peng
ZhiBao Dong
FengQing Han
author_sort Jun Peng
collection DOAJ
description Thermoluminescence (TL) glow curves are widely used in dosimetric studies. Many commercial and free-distributed programs are used to deconvolute TL glow curves. This study introduces an open-source R package tgcd to conduct TL glow curve analysis, such as kinetic parameter estimation, glow peak simulation, and peak shape analysis. TL glow curves can be deconvoluted according to the general-order empirical expression or the semi-analytical expression derived from the one trap-one recombination center (OTOR) model based on the Lambert W function by using a modified Levenberg–Marquardt algorithm from which any of the parameters can be constrained or fixed. The package provides an interactive environment to initialize parameters and offers an automated “trial-and-error” protocol to obtain optimal fit results. First-order, second-order, and general-order glow peaks (curves) are simulated according to a number of simple kinetic models. The package was developed using a combination of Fortran and R programming languages to improve efficiency and flexibility. Keywords: TL glow curve, Deconvolution, Simulation, R package
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spelling doaj.art-99ebbdb728a34967931795e1da4e7ce02022-12-22T00:46:49ZengElsevierSoftwareX2352-71102016-01-015112120tgcd: An R package for analyzing thermoluminescence glow curvesJun Peng0ZhiBao Dong1FengQing Han2Cold and Arid Regions Environmental and Engineering Research Institute, Chinese Academy of Sciences, 320 Donggang West Road, Lanzhou, China; Corresponding author.Cold and Arid Regions Environmental and Engineering Research Institute, Chinese Academy of Sciences, 320 Donggang West Road, Lanzhou, ChinaQinghai Institute of Salt Lakes, Chinese Academy of Sciences, 18 Xinning Road, Xining, ChinaThermoluminescence (TL) glow curves are widely used in dosimetric studies. Many commercial and free-distributed programs are used to deconvolute TL glow curves. This study introduces an open-source R package tgcd to conduct TL glow curve analysis, such as kinetic parameter estimation, glow peak simulation, and peak shape analysis. TL glow curves can be deconvoluted according to the general-order empirical expression or the semi-analytical expression derived from the one trap-one recombination center (OTOR) model based on the Lambert W function by using a modified Levenberg–Marquardt algorithm from which any of the parameters can be constrained or fixed. The package provides an interactive environment to initialize parameters and offers an automated “trial-and-error” protocol to obtain optimal fit results. First-order, second-order, and general-order glow peaks (curves) are simulated according to a number of simple kinetic models. The package was developed using a combination of Fortran and R programming languages to improve efficiency and flexibility. Keywords: TL glow curve, Deconvolution, Simulation, R packagehttp://www.sciencedirect.com/science/article/pii/S2352711016300140
spellingShingle Jun Peng
ZhiBao Dong
FengQing Han
tgcd: An R package for analyzing thermoluminescence glow curves
SoftwareX
title tgcd: An R package for analyzing thermoluminescence glow curves
title_full tgcd: An R package for analyzing thermoluminescence glow curves
title_fullStr tgcd: An R package for analyzing thermoluminescence glow curves
title_full_unstemmed tgcd: An R package for analyzing thermoluminescence glow curves
title_short tgcd: An R package for analyzing thermoluminescence glow curves
title_sort tgcd an r package for analyzing thermoluminescence glow curves
url http://www.sciencedirect.com/science/article/pii/S2352711016300140
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