THORONDOR is a data treatment software with a graphical user interface (GUI) accessible via the browser‐based Jupyter notebook framework. It aims to provide an interactive and user‐friendly tool for the analysis of NEXAFS spectra collected during in situ experiments. The program allows on‐the‐fly representation and quick correction of large datasets from single or multiple experiments. In particular, it provides the possibility to align in energy several spectral profiles on the basis of user‐defined references. Various techniques to calculate background subtraction and signal normalization have been made available. In this context, an innovation of this GUI involves the usage of a slider‐based approach that provides the ability to instantly manipulate and visualize processed data for the user. Finally, the program is characterized by an advanced fitting toolbox based on the lmfit package. It offers a large selection of fitting routines as well as different peak distributions and empirical ionization potential step edges, which can be used for the fit of the NEXAFS rising‐edge peaks. Statistical parameters describing the goodness of a fit such as χ² or the R‐factor together with the parameter uncertainty distributions and the related correlations can be extracted for each chosen model.

中文翻译：

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THORONDOR：一种用于快速处理和分析低能耗XAS数据的软件

THORONDOR是一种数据处理软件，具有可通过基于浏览器的Jupyter笔记本框架访问的图形用户界面（GUI）。它旨在提供一种交互式且用户友好的工具，用于分析在原位收集的NEXAFS光谱实验。该程序可以实时表示和快速校正来自单个或多个实验的大型数据集。特别是，它提供了根据用户定义的参考将多个光谱轮廓进行能量对齐的可能性。计算背景减法和信号归一化的各种技术已经可用。在这种情况下，此GUI的创新涉及使用基于滑块的方法，该方法提供了为用户立即操作和可视化处理后数据的能力。最后，该程序的特点是基于lmfit的高级拟合工具箱包。它提供了大量的拟合例程，以及不同的峰分布和经验电离势阶跃边缘，可用于NEXAFS上升沿峰的拟合。描述的拟合优度如χ统计参数²或- [R与参数不确定性分布和相关的相关性-因子一起可以被提取为每个选择的模型。