![]() ![]() In all these cases, MSroi produces a highly compressed data table containing the measured intensities for relevant mass to charge values at each considered retention time or pixel. MSroi allows the analysis of a variety of mass spectrometry datasets obtained using different acquisition approaches such as direct infusion, hyphenated to a separation technique or imaging. Here, we present the MSroi software in an attempt to provide a one-for-all solution in the compression and pre-processing of mass spectrometry datasets. These unresolved challenges have brought about the development of various computational approaches to enable the pre-processing of these mass spectrometry datasets. ![]() From a chemometric point of view, mass spectrometry generates challenging datasets because of their large size with thousands of mass-to-charge values and with a high inherent complexity associated with the multicomponent mixtures analysed. Mass spectrometry has become one of the methods of choice in the analytical field due to its high sensitivity and selectivity to retrieve structural information allowing the univocal identification of compounds.
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