Landrot Gautier, Fonda Emiliano
Synchrotron SOLEIL, L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin, France.
J Synchrotron Radiat. 2025 Jul 1;32(Pt 4):1085-1094. doi: 10.1107/S1600577525003923. Epub 2025 Jun 23.
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.
Fastosh是一款致力于处理X射线吸收精细结构（XAFS）光谱数据的免费软件。该程序具有一些特别适用于地球化学和环境应用以及处理在原位条件下获取的XAFS数据集的功能。它可用于识别作为样品混合物主要成分存在的化学物种的性质，这在研究一组天然样品或在光束线原位跟踪化学反应时是常见情况，此时可能存在多种物种共存，包括中间物种。此外，该软件具有独特的功能，尤其允许在二维中进行滤波并在三维中绘制随时间变化的数据集；快速去除χ光谱中的毛刺；自动以二维或三维查看并合并在光束线获取的XAFS数据；以及可视化EXAFS小波变换图，并使用采用理论单散射路径的快速建模方法解释其以及相关的χ和傅里叶变换光谱。所有这些功能都可应用于在任何XAFS光束线以ASCII格式生成的XAFS数据。最后，该程序特别允许同步加速器SOLEIL的SAMBA光束线的用户轻松访问与XAFS采集相关的所有上下文数据，或处理由光束线的多像素荧光探测器收集并保存在HDF文件中的原始数据。该文件的结构以及Fastosh中利用它的所有相关功能可以很容易地进行调整，以符合通用的HDF格式，希望未来全球多个XAFS光束线将定义并采用这种格式。
