fup_red_L0: Fup RED Level-0 Example Data set
In invitroTKstats: In Vitro Toxicokinetic Data Processing and Analysis Pipeline

fup_red_L0

R Documentation

Fup RED Level-0 Example Data set

Description

Mass Spectrometry measurements of plasma protein binding (PPB) via rapid equilibrium dialysis (RED) for per- and poly-fluorinated alkyl substance (PFAS) samples. Experiments were led by Dr.s Marci Smeltz and Barbara Wetmore \insertCitesmeltz2023plasmainvitroTKstats. This data set is a subset of experimental data containing samples for 3 test analytes/compounds.

Usage

fup_red_L0

Format

A level-0 data.frame with 660 rows and 18 variables:

Compound: Name of the test analyte/compound
DTXSID: DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)
Lab.Compound.ID: Compound as described in the laboratory
Date: Date the sample was added to the MS analyzer
Sample: Sample description used in the laboratory
Type: Type of RED sample, annotated by the laboratory
Compound.Conc: Expected (or nominal) concentration of analyte (for calibration curve)
Peak.Area: Peak area of analyte (target compound)
ISTD.Peak.Area: Peak area of internal standard (ISTD) compound (pixels)
ISTD.Name: Name of the internal standard (ISTD) analyte/compound
Analysis.Params: Column contains the retention time
Level0.File: Name of the laboratory data file from which the level-0 sample data was extracted
Level0.Sheet: Name of the Excel workbook 'sheet' from which the level-0 sample data was extracted
Sample Text: Additional notes on the sample
Sample.Type: Type of RED sample in invitroTKstats package annotations
Replicate: Identifier for repeated measurements of one sample of a compound
Time: Time when the sample was measured - in hours (h)
Dilution.Factor: Number of times the sample was diluted