ume: Ultrahigh-Resolution Mass Spectrometry Data Evaluation for
Complex Organic Matter
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.
| Version: |
1.5.2 |
| Depends: |
R (≥ 4.2.0) |
| Imports: |
data.table, ggplot2, plotly, vegan, viridis |
| Suggests: |
rmarkdown, pander, knitr, testthat (≥ 3.0.0), xml2, pdftools |
| Published: |
2025-12-12 |
| DOI: |
10.32614/CRAN.package.ume (may not be active yet) |
| Author: |
Boris Koch  [aut,
cre],
Tim Leefmann [ctb],
Fabian Moye [ctb] |
| Maintainer: |
Boris Koch <boris.koch at awi.de> |
| License: |
MIT + file LICENSE |
| URL: |
https://gitlab.awi.de/bkoch/ume, https://ume.awi.de/,
https://www.awi.de/en/ume |
| NeedsCompilation: |
no |
| Citation: |
ume citation info |
| Materials: |
README, NEWS |
| CRAN checks: |
ume results |
Documentation:
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