plot_fup_uc: Plot Mass Spectrometry Responses for Fraction Unbound in...

In invitroTKstats: In Vitro Toxicokinetic Data Processing and Analysis Pipeline

Plot Mass Spectrometry Responses for Fraction Unbound in Plasma Data from Ultracentrifugation (UC)

Description

This function generates a scatter plot of mass spectrometry (MS) responses for one chemical collected from measurement of fraction unbound in plasma (Fup) using ultracentrifugation (UC). The scatter plot displays the MS responses (y-axis) by sample types (x-axis). Responses from different measurements/calibrations are labeled with different shapes and colors.

Usage

plot_fup_uc(
  level2,
  dtxsid,
  compare = "type",
  good.col = "Verified",
  color.palette = "viridis"
)

Arguments

level2	(Data Frame) A data.frame containing level-2 data for fraction unbound in plasma (Fup) measured by ultracentrifugation (UC).
dtxsid	(Character) EPA's DSSTox Structure ID for the chemical to be plotted.
compare	(Character) A string indicating the plot is for comparing the responses across sample types ("type") or across calibrations ("cal"). (Defaults to "type".)
good.col	(Character) Column name containg verification information, data rows valid for plotting are indicated with a "Y". (Defaults to "Verified".)
color.palette	(Character) A character string indicating which viridis R package color map option to use. (Defaults to "viridis".)

Details

This function requires "level-2" data for plotting. Level-2 data is level-1, data formatted with the format_fup_uc function, and curated with a verification column. "Y" in the verification column indicates the data row is valid for plotting.

Value

ggplot2

A figure of mass spectrometry responses for various sample types.

Author(s)

John Wambaugh

Examples

## Load example level-2 data 
level2 <- invitroTKstats::fup_uc_L2
plot_fup_uc(level2, dtxsid = "DTXSID0059829")

invitroTKstats documentation built on Aug. 23, 2025, 9:08 a.m.