SPC_EMP: SPC_EMP

In NMRphasing: Phase Error Correction and Baseline Correction for One Dimensional ('1D') 'NMR' Data

SPC_EMP

Description

A single linear model with entropy minimization with negative peak penalty

Usage

SPC_EMP(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 entropy minimization with negative peak penalty, followed by polynomial baseline correction if necessary

Value

A numeric vector of phase corrected absorption spectrum

Author(s)

Aixiang Jiang

References

Binczyk F, Tarnawski R, Polanska J (2015) Strategies for optimizing the phase correction algorithms in Nuclear Magnetic Resonance spectroscopy. Biomed Eng Online 14 Suppl 2:S5.

de Brouwer, H. (2009). Evaluation of algorithms for automated phase correction of NMR spectra. J Magn Reson, 201, 230-238.

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")
mpc_emp_phased1 <- SPC_EMP(fdat$frequency_domain)

NMRphasing documentation built on Oct. 13, 2024, 1:07 a.m.