automatic_profiling_improv: Improvement of automatic profiling using the inforamtion...

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

Description

Improvement of automatic profiling using the inforamtion collected on a previous implementation.

Usage

automatic_profiling_improv(imported_data, final_output,
  reproducibility_data, ROI_data,
  improvement_option = "reimplementation", level = "outliers")

Arguments

imported_data	List with typical elements necessary to perform quantification of ROIs.
final_output	List with quantifications and indicators of quality of quantification.
reproducibility_data	List with necessary information to load quantifications on the Shiny GUI.
ROI_data	ROIs data.
improvement_option	If "correction", quantifications are updated taking into account the predicted signal parameters. If "reimplemetation", profiling is repeated using the prediction information.
level	How extensive should be the improvement? If "all", all quantifications are changed. If "outliers", quantifications whoss signal parameters behave as outliers are changed (please take into account that only the quantifications will be updated). If a number is introduced, the quantifications with a higher fitting error than the number specified are repeated.

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:
# load(file.path(system.file(package = "rDolphin"),"extdata","MTBLS242_subset_profiling_data.RData"))
# profiling_data_2=automatic_profiling_improv(imported_data,profiling_data$final_output,profiling_data$reproducibility_data,imported_data$ROI_data)

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