MPC_ADSM: MPC_ADSM

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

MPC_ADSM

Description

Multiple single linear models that minimize the absolute total dispersion.

Usage

MPC_ADSM(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 used to process phase error correction through multiple single linear models that minimize the absolute total dispersion, followed by polynomial baseline correction when necessary.

Value

A numeric vector of phase corrected absorption spectrum

Author(s)

Aixiang Jiang

References

Jiang, A. (2024). Phase Error Correction in Magnetic Resonance: A Review of Models, Optimization Functions, and Optimizers in Traditional Statistics and Neural Networks. Preprints. https://doi.org/10.20944/preprints202409.2252.v1

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")
mpc_dsm_phased1 <- MPC_ADSM(fdat$frequency_domain)

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