The SpectraFit tool, a robust data analysis and manipulation tool, offers two modes of operation: CLI and Jupyter Notebook. The CLI mode is best suited for quick and efficient spectrum fitting, like the all-ferrous complex 1 shown in Figure . However, for more complex data analysis and seamless integration with other Python packages, such as SciPy , the Jupyter-Notebook mode is highly recommended. The Advanced example section will delve further into the Jupyter-Notebook mode. To generate the Residual (top) and Fit (bottom) spectra, as depicted in Figure , the user must input a textual format , such as JSON, YAML, or toml. The chosen format will then be translated into a built-in datatype dictionary, which represents an unordered collection of key-value pairs. 30, 31