https://boriskoch.r-universe.devRecent package updates in boriskochR-universehttps://github.com/boriskoch.pnghttps://boriskoch.r-universe.devMon, 13 Jul 2026 20:38:37 GMTboris.koch@awi.de (Boris Koch)Provides tools for assigning molecular formulas from exact masses obtained by ultrahigh-resolution mass spectrometry. The methodology follows the workflow described in Leefmann et al. (2019) <doi:10.1002/rcm.8315>. The package supports the inspection, filtering and visualization of molecular formula data and includes utilities for calculating common molecular parameters (e.g., double bond equivalents, DBE). A graphical user interface is available via the 'shiny'-based 'ume' application.https://github.com/r-universe/boriskoch/actions/runs/29405648306Mon, 13 Jul 2026 20:38:37 GMTume1.7.1successhttps://boriskoch.r-universe.devhttps://github.com/boriskoch/umeume.Rmdume.htmlume2026-05-09 20:24:192026-07-13 20:38:37