SPC_ADSM: SPC_DSM

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

SPC_DSM

Description

A single linear model with absolute dispersion summation minimization.

Usage

SPC_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 to process phase error correction through a single linear model with absolute dispersion summation minimization, followed by polynomial baseline correction if 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")
spc_dsm_phased1 <- SPC_ADSM(fdat$frequency_domain)

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