The data structures were designed with an intuitive, mass spectrometric hierarchical structure, thus allowing organized and easy access to the data and calculations. The goal of the framework is to provide a fundamental, high-level basis for working with all mass spectrometry data types, allowing custom workflows for data signal processing, annotation, and curation. To enable scientific software development to keep pace with fast improvements in MS technology, we have developed a Python software framework named CoreMS. CoreMS is a comprehensive mass spectrometry framework for software development and data analysis of small molecules analysis.ĭata handling and software development for modern mass spectrometry (MS) is an interdisciplinary endeavor requiring skills in computational science and a deep understanding of MS.
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