Reproducible mass spectrometry data processing and compound annotation in MZmine 3
Steffen Heuckeroth, Tito Damiani, Aleksandr Smirnov, Olena Mokshyna, Corinna Brungs, Ansgar Korf, Joshua David Smith, Paolo Stincone, Nicola Dreolin, Louis‐Félix Nothias, Tuulia Hyötyläinen, Matej Orešič, Uwe Kärst, Pieter C. Dorrestein, Daniel Petras, Xiuxia Du, Justin J. J. van der Hooft, Robin Schmid, Tomáš Pluskal
Topics & Concepts
Computer scienceWorkflowSoftwareRaw dataData processingAnnotationFile formatReplicateMass spectrometryData miningDatabaseChromatographyArtificial intelligenceChemistryStatisticsProgramming languageMathematicsMetabolomics and Mass Spectrometry StudiesAdvanced Chemical Sensor TechnologiesIsotope Analysis in Ecology