extract_concentrations: Extract concentrations

In ASICS: Automatic Statistical Identification in Complex Spectra

Description

Combine results of the multiple file ASICS function to obtain quantified relative concentrations of metabolites for each spectrum in one dataset

Usage

extract_concentrations(res_ASICS)

Arguments

res_ASICS

result of the ASICS_multiFiles function

Value

A data frame containing relative concentrations of identified metabolites for each spectrum

Examples

## Not run: 
cur_path <- system.file("extdata", "example_spectra", package = "ASICS")
to_exclude <- matrix(c(4.5,5.1,5.5,6.5), ncol = 2, byrow = TRUE)
res_multi <- ASICS_multiFiles(name.dir = cur_path,
                              exclusion.areas = to_exclude,
                              ncores = 2)

# extract relative concentrations
quantification <- extract_concentrations(res_multi)

## End(Not run)

ASICS documentation built on Jan. 23, 2018, 5:51 p.m.