Kreutz-Clint file descriptions

Descriptions of files found within invitroTKstats/inst/extdata/Kreutz-Clint and working/KreutzPFAS.

The files tracked with the package are contained within this sub-directory, “inst/extdata/Kreutz-Clint”, and are only a subset of all the raw data files found within the “working/KreutzPFAS” sub-directory. We only track a subset of the raw data files due to size constraints.

The unprocessed data files are used within the “Data Guide Creation and Level-0 Data Compilation” vignette to demonstrate the initial steps of the pipelining process (raw data through L0 compilation); they are required to demonstrate how to extract relevant data from the raw data files to calculate point estimates of the intrinsic hepatic clearance (Clint).

Unprocessed data

The raw data files contains mass spectrometry measurements of intrinsic hepatic clearance (Clint) for cryopreserved pooled human hepatocytes. Chemicals were per- and polyfluoroalkyl substance (PFAS) samples. The experiments were led by Dr.s Anna Kreutz and Barbara Wetmore.

Files used for the Data-guide-and-L0_vignette and found here in the “inst/extdata”:

  • Hep_745_949_959_082421_final.xlsx - Raw data file containing experimental data
  • Hep_900_273_HC_082721_final.xlsx - Raw data file containing experimental data
  • Hep4_971_941_041122.xlsx - Raw data file containing experimental data

Additional raw data files only found within the “working/KreutzPFAS” in the invitrotkstats_dataproc repository:

  • G6HC_474_3096_101621_final.xlsx - Raw data file containing experimental data
  • Hep_501_503_507_516_110421.xlsx - Raw data file containing experimental data
  • Hep_908_909_916_923_final.xlsx - Raw data file containing experimental data
  • Hep_913_AK_082421.xlsx - Raw data file containing experimental data
  • Hep_945_274_464_477_479_final.xlsx - Raw data file containing experimental data

NOTE: All the raw/unprocessed data files listed above may be found in the “working/KreutzPFAS” sub-directory in the invitrotkstats_dataproc repository.

CAUTION: We do not anticipate any changes in the unprocessed data files. If there are any new updates to these files, you must include a note log containing the date and explanation of changes at the end of this README.