ALBA Synchrotron, Cerdanyola del Vallès, Barcelona 08290, Spain.
Departament de Mineralogia, Petrologia i Geologia Aplicada, Facultat de Ciències de la Terra, Universitat de Barcelona, Barcelona 08028, Spain.
J Synchrotron Radiat. 2021 Jul 1;28(Pt 4):1245-1252. doi: 10.1107/S1600577521003593. Epub 2021 May 19.
MAP2XANES is an intuitive Jupyter notebook that automatizes the analysis of synchrotron X-ray fluorescence imaging and X-ray absorption spectroscopy for the characterization of complex and heterogeneous samples. The notebook uses basic modules and functions from Numpy, Scipy, Pandas, iPywidgets and Matplotlib libraries for a powerful data reduction process that, in just a few clicks, guides the user through the visualization of elemental maps, space-resolved absorption spectra and their automatized analysis. In particular, by means of linear combination fit of the XANES spectra, the notebook determines the chemical species distribution in the sample under investigation. The direct output of the analysis process is the correlation between the different elemental distributions and the spatial localization of the chemical species detected. An application to mineralogy is thus presented, analyzing the Mn, Mn and Mn distribution in a mineral sample of hausmannite (MnMnO), courtesy of the Museum of Natural Science of Barcelona.
MAP2XANES 是一个直观的 Jupyter 笔记本，它自动化了同步加速器 X 射线荧光成像和 X 射线吸收光谱分析，用于复杂和不均匀样品的特性描述。该笔记本使用了 Numpy、Scipy、Pandas、iPywidgets 和 Matplotlib 库中的基本模块和功能，实现了强大的数据缩减过程，只需点击几下，就能引导用户查看元素图谱、空间分辨吸收光谱及其自动化分析。特别是，通过对 XANES 光谱的线性组合拟合，笔记本确定了研究样品中化学物质的分布。分析过程的直接输出是不同元素分布与检测到的化学物质空间定位之间的相关性。因此，我们展示了一个矿物学的应用案例，分析了巴塞隆纳自然科学博物馆的锰矿（MnMnO）中 Mn、Mn 和 Mn 的分布。
