ume

Ultrahigh-Resolution Mass Spectrometry Data Evaluation for Complex Organic Matter

v1.6.1 · May 9, 2026 · MIT + file LICENSE

Description

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.

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CRAN Check Status

13 OK

Show all 13 flavors

Flavor	Status	Time
r-devel-linux-x86_64-debian-clang	OK	289s
r-devel-linux-x86_64-debian-gcc	OK	212.8s
r-devel-linux-x86_64-fedora-clang	OK	402.8s
r-devel-linux-x86_64-fedora-gcc	OK	410s
r-devel-windows-x86_64	OK	271s
r-oldrel-macos-arm64	OK	61s
r-oldrel-macos-x86_64	OK	214s
r-oldrel-windows-x86_64	OK	330s
r-patched-linux-x86_64	OK	244.3s
r-release-linux-x86_64	OK
r-release-macos-arm64	OK	62s
r-release-macos-x86_64	OK	245s
r-release-windows-x86_64	OK	283s

Check History

OK 13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Jun 9, 2026

ERROR 12 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE Jun 8, 2026

ERROR r-devel-linux-x86_64-debian-gcc

package dependencies

Package required but not available: ‘plotly’

See section ‘The DESCRIPTION file’ in the ‘Writing R Extensions’
manual.

WARNING 12 OK · 0 NOTE · 1 WARNING · 0 ERROR · 0 FAILURE Jun 7, 2026

WARNING r-devel-linux-x86_64-debian-gcc

Rd files

cannot open the connection
cannot open the connection
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cannot open the connection
cannot open the connection
cannot open the connection
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cannot 
...[truncated]...
d’, ‘uplot_n_mf_per_sample.Rd’, ‘uplot_pca.Rd’, ‘uplot_ppm_avg.Rd’, ‘uplot_ratios.Rd’, ‘uplot_reproducibility.Rd’, ‘uplot_ri_vs_sample.Rd’, ‘uplot_vk.Rd’, ‘uplot_wrapper.Rd’, ‘uplots_add_ume_label.Rd’, ‘uplots_add_ume_logo.Rd’, ‘uplots_map_labels.Rd’

OK 14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Mar 10, 2026