fup_red_L0: Fup RED Level-0 Example Data set

fup_red_L0R 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

References

\insertRef

waters2008validationinvitroTKstats

\insertRef

smeltz2023plasmainvitroTKstats


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