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SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source

SYNCmoss is a software package dedicated to fitting Mössbauer spectra measured with a synchrotron Mössbauer source (SMS). Operation conditions of an SMS can be continuously varied from high resolution and low intensity to the opposite extreme. These variations influence the width and shape of the in...

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Autor principal: Yaroslavtsev, Sergey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10161888/
https://www.ncbi.nlm.nih.gov/pubmed/37000184
http://dx.doi.org/10.1107/S1600577523001686
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author Yaroslavtsev, Sergey
author_facet Yaroslavtsev, Sergey
author_sort Yaroslavtsev, Sergey
collection PubMed
description SYNCmoss is a software package dedicated to fitting Mössbauer spectra measured with a synchrotron Mössbauer source (SMS). Operation conditions of an SMS can be continuously varied from high resolution and low intensity to the opposite extreme. These variations influence the width and shape of the instrumental function. The main purpose of SYNCmoss is to fit data obtained with instrumental functions of various shapes. SYNCmoss allows the instrumental function to be extracted from the spectrum of a standard absorber, and then to utilize it in the fitting procedures for the samples studied. SYNCmoss is standalone software – it does not require installations of any software environment. Setting input parameters and the fitting procedure are controlled within a graphical user interface. High-intensity mode of the SMS leads to a short acquisition time, allowing for fast (for example, operando) measurements resulting in a long sequence of spectra with close or smoothly varying parameters. For such cases, SYNCmoss provides an option to fit a series of spectra in automatic mode. SYNCmoss provides fitting models for various cases of hyperfine interaction including the full Hamiltonian for the combined interaction. Finally, for generality, the software has the ability to also fit conventional Mössbauer spectra and simple cases of nuclear forward scattering spectra.
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spelling pubmed-101618882023-05-06 SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source Yaroslavtsev, Sergey J Synchrotron Radiat Research Papers SYNCmoss is a software package dedicated to fitting Mössbauer spectra measured with a synchrotron Mössbauer source (SMS). Operation conditions of an SMS can be continuously varied from high resolution and low intensity to the opposite extreme. These variations influence the width and shape of the instrumental function. The main purpose of SYNCmoss is to fit data obtained with instrumental functions of various shapes. SYNCmoss allows the instrumental function to be extracted from the spectrum of a standard absorber, and then to utilize it in the fitting procedures for the samples studied. SYNCmoss is standalone software – it does not require installations of any software environment. Setting input parameters and the fitting procedure are controlled within a graphical user interface. High-intensity mode of the SMS leads to a short acquisition time, allowing for fast (for example, operando) measurements resulting in a long sequence of spectra with close or smoothly varying parameters. For such cases, SYNCmoss provides an option to fit a series of spectra in automatic mode. SYNCmoss provides fitting models for various cases of hyperfine interaction including the full Hamiltonian for the combined interaction. Finally, for generality, the software has the ability to also fit conventional Mössbauer spectra and simple cases of nuclear forward scattering spectra. International Union of Crystallography 2023-03-31 /pmc/articles/PMC10161888/ /pubmed/37000184 http://dx.doi.org/10.1107/S1600577523001686 Text en © Sergey Yaroslavtsev 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Yaroslavtsev, Sergey
SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source
title SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source
title_full SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source
title_fullStr SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source
title_full_unstemmed SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source
title_short SYNCmoss software package for fitting Mössbauer spectra measured with a synchrotron Mössbauer source
title_sort syncmoss software package for fitting mössbauer spectra measured with a synchrotron mössbauer source
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10161888/
https://www.ncbi.nlm.nih.gov/pubmed/37000184
http://dx.doi.org/10.1107/S1600577523001686
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