qc_sims: Make an Excel file for QCing simulations

In shirewoman2/Consultancy: Standardized tools for using R within the Simcyp Consultancy Team

Make an Excel file for QCing simulations

Description

qc_sims will create an Excel file specifically designed for general QCing. It is, by design, more succinct than annotateDetails and will only return information that would be included in the "Simcyp Inputs" table.

Usage

qc_sims(
  existing_exp_details,
  template_sim = NA,
  compoundID = NA,
  compound = NA,
  save_output = NA
)

Arguments

existing_exp_details	output from extractExpDetails or extractExpDetails_mult
template_sim	optionally include a specific file name – it must be one of the files included in the object you supply for existing_exp_details – that can be used as a template simulation to compare all the other simulations to. Any details in any simulations that do NOT match the template simulation details will be highlighted in red if you save the output to an Excel file using save_output. NOTE: If you use a template simulation, we strongly recommend you also set compoundID to be only the compound ID you want, e.g., compoundID = "substrate" and/or set the compound name to be only the compound you want, e.g., compound = "midaz" (this will match any compound names that include the letters "midaz" and is NOT case sensitive), and set show_compound_col = FALSE. This will result in a much clearer Excel file.
compoundID	optionally supply one or more of "substrate", "primary metabolite 1", "primary metabolite 2", "secondary metabolite", "inhibitor 1", "inhibitor 2", or "inhibitor 1 metabolite" to return information only on that/those compound(s). Remember to contain more than one compound ID with c(...).
compound	optionally supply a specific compound name or part of a specific compound name to get all possible compounds that match that and only compounds that match that. Regular expressions are acceptable here, e.g., compound = "midaz|keto" to find any compound with either "midaz" or "keto" in the name. Not case sensitive.
save_output	optionally save the output by supplying an Excel file name in quotes here, e.g., "Simulation details.xlsx". Do not include any slashes, dollar signs, or periods in the file name. If you leave off the file extension, it will be saved as an xlsx file. This will save the output with one tab per compound ID (one for substrate, one for inhibitor 1, etc.)

Value

Returns a list of data.frames, broken up by the compound ID, and saves each data.frame in a formatted Excel file with one tab per compound ID (one for substrate, one for inhibitor 1, etc.)

Examples

# No examples yet.

shirewoman2/Consultancy documentation built on Feb. 18, 2025, 10 p.m.