Supporting materials for "Benchmark datasets for 3D MALDI- and DESI-Imaging Mass Spectrometry".

Three-dimensional imaging mass spectrometry (3D imaging MS) is a technique of analytical chemistry for three-dimensional molecular analysis of a tissue specimen, entire organ, or microbes on an agar plate. 3D imaging MS has unique advantages over existing 3D imaging techniques and offers novel perspectives for understanding the spatial organization of biological processes with possible applications in both biology and medicine. Due to the sheer quantity of data generated, visualization, analysis, and interpretation of big 3D imaging MS data remain a significant challenge. In this paper, we provide to the community selected high-quality 3D imaging MS datasets from different biological systems acquired at several labs with the aim to stimulate computational research in this field.
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3D imaging MS data was collected from five different samples using two different types of 3D imaging MS. 3D Matrix-Assisted Laser Desorption/Ionization (MALDI) imaging MS data was collected from murine pancreas, murine kidney, human oral squamous cell carcinoma, and interacting microbial colonies cultured in Petri dishes. 3D Desorption Electrospray Ionization (DESI) imaging MS data was collected from a human colorectal adenocarcinoma.