individual_profiling: Quantification of individual ROIs with selected spectra.

In danielcanueto/rDolphin: Reliable automatic profiling of 1D 1H NMR Spectra, with additional tools for analysis

Description

Quantification of individual ROIs with selected spectra.

Usage

individual_profiling(imported_data, final_output, ind, ROI_profile,
  reproducibility_data, interface = F)

Arguments

imported_data	List with typical elements necessary to perform quantification of ROIs.
final_output	List with quantifications and indicators of quality of quantification.
ind	Experiment to quantify.
ROI_profile	Information of signals to fit in ROI
reproducibility_data	List with necessary information to load quantifications on the Shiny GUI.
interface	Is the function being used with the Shiny GUI or not? By default F.

Value

Output depends on if the function is being used or not in the interface. If not in the interface, list with updated final_output and reproducibility_data variables. If in the interface, necessary parameters to evaluate quality of the quantification before confiramtion by the user.

Examples

setwd(paste(system.file(package = "rDolphin"),"extdata",sep='/'))
imported_data=import_data("Parameters_MTBLS242_15spectra_5groups.csv")
resulting_data=individual_profiling(imported_data,imported_data$final_output,c(1,4),imported_data$ROI_data[3:4,],imported_data$reproducibility_data)

danielcanueto/rDolphin documentation built on May 14, 2019, 4:03 p.m.