signparpred: Prediction of signal parameter information with prediction...

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

Description

Prediction of signal parameter information with prediction intervals.

Usage

signparpred(initial_matrix, fitting_error = NULL, met_names = NA)

Arguments

initial_matrix	Matrix of signal paramter values.
fitting_error	By default NULL. Fitting error associated to the signal parameter values.
met_names	By default NA. In case of predicting intensity, it enables prediction based on only signals from the same metabolite. Vector of metabolite associated to each signal whose itensity is predicted.

Value

List with predicted values and prediction intervals.

Examples

# Not run:
setwd(paste(system.file(package = "rDolphin"),"extdata",sep='/'))
imported_data=import_data("Parameters_MTBLS242_15spectra_5groups.csv")
load("MTBLS242_subset_profiling_data.RData")
# chemical_shift_pred=signparpred(profiling_data$final_output$chemical_shift,profiling_data$final_output$fitting_error)
# intensity_pred=signparpred(profiling_data$final_output$intensity,profiling_data$final_output$fitting_error,imported_data$ROI_data[,4])

danielcanueto/Dolphin documentation built on May 14, 2019, 3:51 p.m.