uplot_isotope_precision: Precision of Isotope Abundance

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

Precision of Isotope Abundance

Description

Visualizes the deviation between measured and theoretical 13C isotope ratios. Supports optional data reduction (binning) to greatly enhance interactive rendering speed in Plotly.

Usage

uplot_isotope_precision(
  mfd,
  z_var = "nsp_tot",
  int_col = "norm_int",
  size_dots = 1.5,
  bins = 100,
  data_reduction = FALSE,
  tf = FALSE,
  logo = TRUE,
  plotly = FALSE,
  cex.axis = 1,
  cex.lab = 1.4
)

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.
z_var	Column used for color mapping (default: "nsp_tot")
int_col	Intensity column (default: "norm_int")
size_dots	Numeric. Size of the dots in the plot (default = 0.5).
bins	Number of bins used when data_reduction = TRUE
data_reduction	Logical. If TRUE, bins the data and uses bin medians (recommended for very large datasets; speeds up rendering massively).
tf	Logical. If TRUE, applies a transformation to the color scale (default is FALSE).
logo	Logical. If TRUE, adds a UME caption.
plotly	Logical. Return a plotly object instead of ggplot.
cex.axis	Numeric. Size of axis text (default is 1).
cex.lab	Numeric. Size of axis labels (default is 1.4).

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_kmd(), uplot_lcms(), uplot_ma_vs_mz(), uplot_ms(), uplot_n_mf_per_sample(), uplot_pca(), uplot_ratios(), uplot_reproducibility(), uplot_ri_vs_sample(), uplot_vk()

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