Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions
Fastosh is a freeware dedicated to the treatment of X-ray absorption fine-structure (XAFS) spectroscopy data. The program features functions that are particularly suitable for geochemical and environmental applications and treatment of XAFS datasets acquired in operando conditions. It can be employe...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2025-07-01
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| Series: | Journal of Synchrotron Radiation |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S1600577525003923 |
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| _version_ | 1849416355538796544 |
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| author | Gautier Landrot Emiliano Fonda |
| author_facet | Gautier Landrot Emiliano Fonda |
| author_sort | Gautier Landrot |
| collection | DOAJ |
| description | Fastosh is a freeware dedicated to the treatment of X-ray absorption fine-structure (XAFS) spectroscopy data. The program features functions that are particularly suitable for geochemical and environmental applications and treatment of XAFS datasets acquired in operando conditions. It can be employed to identify the nature of chemical species present as principal components in a sample mixture, which is a case commonly encountered when studying a set of natural samples or a chemical reaction followed in situ at the beamline, where multiple species may coexist, including intermediary species. Additionally, the software features unique functionalities that notably allow to filter in two dimensions and plot in three dimensions time-dependent datasets; rapidly deglitch chi spectra; automatically view in 2D or 3D and merge XAFS data acquired at the beamline; and visualize an EXAFS wavelet transform map as well as interpret it and its associated chi and Fourier transform spectra using a quick modelling approach where theoretical single scattering paths are employed. All these functions can be applied to XAFS data generated in ASCII format at any XAFS beamlines. Lastly, the program specifically allows users of SAMBA beamline, Synchrotron SOLEIL, to easily access all contextual data associated with an XAFS acquisition or process the raw data collected by the multi-pixel fluorescence detector of the beamline, which are saved in an HDF file. The structure of this file, and all related functions in Fastosh to exploit it, could be readily adapted to comply with a universal HDF format, which hopefully will be defined and adopted in the future by multiple XAFS beamlines worldwide. |
| format | Article |
| id | doaj-art-d888fe2dc836461d9a92e46cff2b187b |
| institution | Kabale University |
| issn | 1600-5775 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Journal of Synchrotron Radiation |
| spelling | doaj-art-d888fe2dc836461d9a92e46cff2b187b2025-08-20T03:33:13ZengInternational Union of CrystallographyJournal of Synchrotron Radiation1600-57752025-07-013241085109410.1107/S1600577525003923rv5190Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditionsGautier Landrot0Emiliano Fonda1Synchrotron SOLEIL, L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin, FranceSynchrotron SOLEIL, L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin, FranceFastosh is a freeware dedicated to the treatment of X-ray absorption fine-structure (XAFS) spectroscopy data. The program features functions that are particularly suitable for geochemical and environmental applications and treatment of XAFS datasets acquired in operando conditions. It can be employed to identify the nature of chemical species present as principal components in a sample mixture, which is a case commonly encountered when studying a set of natural samples or a chemical reaction followed in situ at the beamline, where multiple species may coexist, including intermediary species. Additionally, the software features unique functionalities that notably allow to filter in two dimensions and plot in three dimensions time-dependent datasets; rapidly deglitch chi spectra; automatically view in 2D or 3D and merge XAFS data acquired at the beamline; and visualize an EXAFS wavelet transform map as well as interpret it and its associated chi and Fourier transform spectra using a quick modelling approach where theoretical single scattering paths are employed. All these functions can be applied to XAFS data generated in ASCII format at any XAFS beamlines. Lastly, the program specifically allows users of SAMBA beamline, Synchrotron SOLEIL, to easily access all contextual data associated with an XAFS acquisition or process the raw data collected by the multi-pixel fluorescence detector of the beamline, which are saved in an HDF file. The structure of this file, and all related functions in Fastosh to exploit it, could be readily adapted to comply with a universal HDF format, which hopefully will be defined and adopted in the future by multiple XAFS beamlines worldwide.https://journals.iucr.org/paper?S1600577525003923general-purpose xafs data treatment softwarestudy of mixtures via chemometrykinetics dataset toolsquick-exafs modellinghdf file processing |
| spellingShingle | Gautier Landrot Emiliano Fonda Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions Journal of Synchrotron Radiation general-purpose xafs data treatment software study of mixtures via chemometry kinetics dataset tools quick-exafs modelling hdf file processing |
| title | Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions |
| title_full | Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions |
| title_fullStr | Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions |
| title_full_unstemmed | Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions |
| title_short | Fastosh: a software for the treatment of XAFS datasets of environmental relevance or acquired in operando conditions |
| title_sort | fastosh a software for the treatment of xafs datasets of environmental relevance or acquired in operando conditions |
| topic | general-purpose xafs data treatment software study of mixtures via chemometry kinetics dataset tools quick-exafs modelling hdf file processing |
| url | https://journals.iucr.org/paper?S1600577525003923 |
| work_keys_str_mv | AT gautierlandrot fastoshasoftwareforthetreatmentofxafsdatasetsofenvironmentalrelevanceoracquiredinoperandoconditions AT emilianofonda fastoshasoftwareforthetreatmentofxafsdatasetsofenvironmentalrelevanceoracquiredinoperandoconditions |