ZoneAggregation: Aggregates the values in a given ppm interval.

Description Usage Arguments Details Value Author(s) Examples

View source: R/ZoneAggregation.R

Description

The function replaces the values given in specified intervals by triangular shaped peaks with the same area than the original peaks.

Usage

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ZoneAggregation(Spectrum_data, fromto.za = list(Citrate = c(2.5, 2.7)), verbose = FALSE)

Arguments

Spectrum_data

Matrix containing the spectra in ppm, one row per spectrum.

fromto.za

List containing the borders in ppm of the intervals to aggregate.

verbose

If "TRUE", will print processing information.

Details

The interval is specified in the unit of the column names (which should be ppm). This aggregation is usually performed with urine samples that contains citrate.

Value

Spectrum_data

The matrix of spectra with their zone aggregated.

Author(s)

BenoƮt Legat & Manon Martin

Examples

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require(PepsNMRData)
Spectrum_data <- ZoneAggregation(Data_HU_sp$Spectrum_data_HU_12, 
fromto.za = list(Citrate =c(2.5, 2.7)))

ManonMartin/SOAP-NMR documentation built on Nov. 26, 2021, 8:46 p.m.