automatic_profiling: Automatic quantification of signals for all experiments using...

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

Description

Automatic quantification of signals for all experiments using the information located in the ROI patterns file.

Usage

automatic_profiling(imported_data, ROI_data, optimization = TRUE,
  spectra_to_profile = NULL)

Arguments

imported_data	List with typical elements necessary to perform quantification of ROIs.
ROI_data	ROIs data.
optimization	By default TRUE. If TRUE, profiling quality is maximized through the analysis og signals parameters, with the tradeoff of additional computing time.
spectra_to_profile	By default NA, and all spectra are profiled. If a vector of spectra is provided, profiling is limited to this vector.

Value

List with final_output (with metabolite signal relative concentrations and quality indicators) and reproducibility_data (with the necessary data to reproduce the profiling performed).

Examples

setwd(paste(system.file(package = "rDolphin"),"extdata",sep='/'))
imported_data=import_data("Parameters_MTBLS242_15spectra_5groups.csv")
# Not run:
# profiling_data=automatic_profiling(imported_data,imported_data$ROI_data)

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