Shinyscreen: Mass Spectrometry Data Inspection and Quality Checking Utility

Shinyscreen is an R package and Shiny-based web application designed for the exploration, visualization, and quality assessment of raw data from high resolution mass spectrometry instruments. Its versatile compound or mass list-based approach supports the curation of data starting from either known or “suspected” compounds (compound-based screening), or detected masses (mass list-based screening), making it adaptable to diverse analytical needs (target, suspect or non-target screening). Shinyscreen can be operated in multiple modes, including as an R package, an interactive command-line tool, a self-documented web GUI, or a network-deployable service. Shinyscreen has been applied in environmental research, database enrichment, and educational initiatives, showcasing its broad utility. Shinyscreen is available in GitLab (https://gitlab.com/uniluxembourg/lcsb/eci/shinyscreen) under the Apache License 2.0. The repository contains detailed instructions for deployment and use. Additionally, a pre-configured Docker image, designed for seamless installation and operation is available, with instructions also provided in the main repository.