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Choice of spectroscopic lineshape model affects metabolite peak areas and area ratios
Author(s) -
Marshall Ian,
Bruce Stephen D.,
Higinbotham John,
MacLullich Alasdair,
Wardlaw Joanna M.,
Ferguson Karen J.,
Seckl Jonathan
Publication year - 2000
Publication title -
magnetic resonance in medicine
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.696
H-Index - 225
eISSN - 1522-2594
pISSN - 0740-3194
DOI - 10.1002/1522-2594(200010)44:4<646::aid-mrm20>3.0.co;2-0
Subject(s) - metabolite , nuclear magnetic resonance , chemistry , gaussian , creatine , spectral line , choline , physics , computational physics , computational chemistry , quantum mechanics , biochemistry
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 χ 2 ). In this work, results from a group of 41 subjects are presented. It is shown that not only are the estimated metabolite peak areas affected by the choice of lineshape model, but so too are the metabolite ratios. For example, the NAA/choline ratio was 1.92 ± 0.06 (mean ± standard error) using the Lorentzian lineshape model and 1.85 ± 0.05 using the Voigt lineshape model. The corresponding figures for NAA/creatine were 2.32 ± 0.06 and 2.10 ± 0.05 respectively, which are significantly different for the two lineshape models. An explanation of this previously unreported effect is given. This finding clearly has serious implications for the methodology and reporting of spectroscopic studies. Magn Reson Med 44:646–649, 2000. © 2000 Wiley‐Liss, Inc.