NOMspectra: An Open-Source Python']Python Package for Processing High Resolution Mass Spectrometry Data on Natural Organic Matter

The present study introduces NOMspectra, a Python packagefor processinghigh resolution mass spectrometry data on complex systems of naturalorganic matter (NOM). NOM is characterized by multicomponent compositionreflected as thousands of signals producing very complex patternsin high resolution mass spectra. This complexity sets special demandson the methods of data processing used for analysis. The developedNOMspectra package offers a comprehensive workflow for processing,analyzing, and visualizing information-rich mass spectra of NOM andHS including algorithms for filtering spectra, recalibrating, andassigning elemental compositions to molecular ions. Additionally,the package includes functions for calculating various molecular descriptorsand methods for data visualization. A graphical user interface (GUI)has been developed to make a user-friendly interface for the proposedpackage.