Our aim is to showcase the abilities and potential of SpectraFit, a powerful tool for analyzing and interpreting spectroscopic data, by utilizing this set of iron dimers. First, we will explain its basic features using the Command Line Interface (CLI). Second, we will provide a detailed walkthrough of a Jupyter Notebook example. Although we will use the same data set for both examples, the Jupyter Notebook will include additional features such as global fitting, statistics, and reporting capabilities, making it more complex. The gradual progress from simplicity (CLI) to complexity (Jupyter) illustrates characteristics and potential.