Informatics, Volume 11, Issue 2 (June 2024) – 29 articles
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The increasing interest in MS profiling for arthropod identification has led to the creation of guidelines for sample preparation and assessing MS spectra quality, an element which is currently lacking. In the present work, a bioinformatics tool, MSProfileR, was created that integrates a control quality system for detecting and excluding outlier MS profiles and optimises the process of MS spectra analysis, including the addition of spectra metadata. It was developed in an R environment and offers a user-friendly web interface using the R Shiny framework. Its application to two arthropod spectra datasets in our study highlights its superiority to manual classification. MSProfileR is an open-source software that can be used by the scientific community, particularly entomologists, without any need for programming expertise. View this paper
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