SPC_DSM {NMRphasing}R Documentation

SPC_DSM

Description

A single linear model with dispersion summation minimization.

Usage

SPC_DSM(specdat, withBC = TRUE)

Arguments

specdat

A complex number vector of observed frequency domain data

withBC

A logical parameter that enables/disables baseline correction after baseline correction

Details

This function is to process phase error correction through a single linear model with dispersion summation minimization, followed by polynomial baseline correction if necessary

Value

A numeric vector of phase corrected absorption spectrum

Author(s)

Aixiang Jiang

References

Chen, L., Weng, Z., Goh, L., & Garland, M. (2002). An efficient algorithm for automatic phase correction of NMR spectra based on entropy minimization. Journal of Magnetic Resonance, 158, 1-2.

Ernst, R. R. (1969). Numerical Hilbert transform and automatic phase correction in magnetic resonance spectroscopy. Journal of Magnetic Resonance, 1, 7-26

Liland KH, Almøy T, Mevik B (2010), Optimal Choice of Baseline Correction for Multivariate Calibration of Spectra, Applied Spectroscopy 64, pp. 1007-1016.

Examples

data("fdat")
spc_dsm_phased1 <- SPC_DSM(fdat$frequency_domain)

[Package NMRphasing version 1.0.4 Index]