All Outputs (2)

Choice of spectroscopic line shape model affects metabolite peak areas and area ratios. (2000)
Journal Article
Marshall, I., Bruce, S. D., Higinbotham, J., MacLullich, A., Wardlaw, J. M., Ferguson, K. J., & Seckl, J. (2000). Choice of spectroscopic line shape model affects metabolite peak areas and area ratios. Magnetic Resonance in Medicine, 44, 646-649. doi:10.1002/1522-2594(200010)44:43.0.CO;2-0

The use of Lorentzian model lineshapes leads to systematic errors in the quantification of in vivo (1)H NMR spectra. Experimental lineshapes are better modeled by the Voigt (mixed Lorentzian-Gaussian) function, leading to more accurate fits (reduced... Read More about Choice of spectroscopic line shape model affects metabolite peak areas and area ratios..

An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra. (2000)
Journal Article
Bruce, S. D., Higinbotham, J., Marshall, I., & Beswick, P. H. (2000). An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra. Journal of magnetic resonance, 142(1), 57-63. https://doi.org/10.1006/jmre.1

The approximation of the Voigt line shape by the linear summation of Lorentzian and Gaussian line shapes of equal width is well documented and has proved to be a useful function for modeling in vivo (1)H NMR spectra. We show that the error in determi... Read More about An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra..