Effective data visualization strategies in untargeted metabolomics
Kevin Mildau, Henry Ehlers, Mara Meisenburg, Elena Del Pup, Robert A. Koetsier, Laura Rosina Torres Ortega, Niek De Jonge, Kumar Saurabh Singh, Dora Ferreira, Kgalaletso Othibeng, Fidele Tugizimana, Florian Huber, Justin J. J. van der Hooft
Abstract
fashion. With this review, we aim to bridge the gap between the fields of untargeted metabolomics and data visualization. First, we introduce data visualization to the untargeted metabolomics field as a topic worthy of its own dedicated research, and provide a primer on cutting-edge visualization research into data visualization for both researchers as well as developers active in metabolomics. We extend this primer with a discussion of best practices for data visualization as they have emerged from data visualization studies. Second, we provide a practical roadmap to the visual tool landscape and its use within the untargeted metabolomics field. Here, for several computational analysis stages within the untargeted metabolomics workflow, we provide an overview of commonly used visual strategies with practical examples. In this context, we will also outline promising areas for further research and development. We end the review with a set of recommendations for developers and users on how to make the best use of visualizations for more effective and transparent communication of results.