uplot_ma_vs_mz: Plot Mass Accuracy vs m/z

In ume: Ultrahigh-Resolution Mass Spectrometry Data Evaluation for Complex Organic Matter

Plot Mass Accuracy vs m/z

Description

Generates a UME-style scatter plot showing mass accuracy (ppm) versus mass-to-charge ratio (m/z).

Summary statistics (median, 2.5% and 97.5% quantiles) are displayed as horizontal reference lines and an annotation panel.

The plot is returned as a ggplot2 object by default, with optional plotly conversion for interactivity.

Usage

uplot_ma_vs_mz(mfd, ma_col = "ppm", logo = FALSE, plotly = FALSE, ...)

Arguments

mfd	data.table with molecular formula data as derived from ume::assign_formulas. Column names of elements/isotopes must match names in the isotope column of ume::masses; values are integers representing counts per formula.
ma_col	Character. Column containing mass accuracy (ppm).
logo	Logical. If TRUE, adds a UME caption.
plotly	Logical. If TRUE, return interactive plotly object.
...	Additional arguments passed to methods.

Value

A ggplot or plotly object.

See Also

Other plots: uplot_cluster(), uplot_cvm(), uplot_dbe_minus_o_freq(), uplot_dbe_vs_c(), uplot_freq_ma(), uplot_freq_vs_ppm(), uplot_hc_vs_m(), uplot_heteroatoms(), uplot_isotope_precision(), uplot_kmd(), uplot_lcms(), uplot_ms(), uplot_n_mf_per_sample(), uplot_pca(), uplot_ratios(), uplot_reproducibility(), uplot_ri_vs_sample(), uplot_vk()

Examples

uplot_ma_vs_mz(mf_data_demo, ma_col = "ppm")

ume documentation built on Dec. 13, 2025, 1:06 a.m.