spmblp: Polynomial Baseline Correction of a Matrix of Mid-infrared...

In spftir: Pre-Processing and Analysis of Mid-Infrared Spectral Region

Description

This function allows a polynomial correction of defects of the baseline of a mid-infrared spectrum.

Usage

spmblp(spectra, degree = 2, tol = 0.001, rep = 100)

Arguments

spectra	matrix. The matrix of FTIR spectra. The first row corresponds to wavenumber; the remaining rows corresponds to absorbances.
degree	numeric. Degree of polynomial. Defaults to 2.
tol	numeric. Tolerance of difference between iterations. Defaults to 0.001.
rep	numeric. Maximum number of iterations. Defaults to 100.

Value

An object of class spmblp, which is a list with the following components:

original	Matrix of original mid-infrared spectra.
baseline	Matrix of polynomial baseline of mid-infrared spectra.
corrected	Matrix of polynomial baseline corrected mid-infrared spectra.

Author(s)

Claudio Pozo Valenzuela [aut, cre] and Saddys Rodriguez-llamazares [aut]

References

Lieber, C. A., and Mahadevan-Jansen, A. (2003). Automated method for subtraction of fluorescence from biological Raman spectra. Applied spectroscopy, 57(11), 1363-1367.

Examples

data(spData)
# Convert data frame to matrix
spectra <- as.matrix(t(spData))
# List of polynomial baseline components
mblp <- spmblp(spectra, degree = 2, tol = 0.001, rep = 100)
# Original matrix
original <- mblp$original
# Baseline matrix
baseline <- mblp$baseline
# Corrected matrix
corrected <- mblp$corrected

Example output

Loading required package: pracma

spftir documentation built on May 2, 2019, 2:08 a.m.