validation: Estimation of quality indicators, with signal to total area...

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

Description

Estimation of quality indicators, with signal to total area ratio, fitting error, and difference between expected and found signal parameter values.

Usage

validation(final_output, validation_type, alarm_matrix = NA)

Arguments

final_output	List with quantifications and indicators of quality of quantification.
validation_type	Type of validation to perform (1: fitting error, 2: signal total area ratio, 3: difference expected-obtained chemical shift, 4: difference expected-obtained half bandwidth, 5: difference expected-obtained intensity)
alarm_matrix	Optional list of previous indicators to update. By default NA.

Value

List with estimated indicators, matrix to show in GUI, and breaks and colors to prepare a different color for each cell of the matrix.

Examples

setwd(paste(system.file(package = "rDolphin"),"extdata",sep='/'))
load("MTBLS242_subset_profiling_data.RData")
validation_data=validation(profiling_data$final_output,5)

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