An analytical derivation of a popular approximation of the Voigt function for quantification of NMR spectra

被引:72
作者
Bruce, SD
Higinbotham, J
Marshall, I
Beswick, PH
机构
[1] Napier Univ, Sch Math & Phys Sci, Edinburgh EH10 5DT, Midlothian, Scotland
[2] Univ Edinburgh, Western Gen Hosp, Dept Med Phys & Med Engn, Edinburgh EH4 2XU, Midlothian, Scotland
[3] Napier Univ, Sch Life Sci, Edinburgh EH10 5DT, Midlothian, Scotland
关键词
Voigt; approximation; NMR spectroscopy; quantification; modeling;
D O I
10.1006/jmre.1999.1911
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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 H-1 NMR spectra, We show that the error in determining peak areas is less than 0.72% over a range of simulated Voigt line shapes. Previous work has concentrated on empirical analysis of the Voigt function, yielding accurate expressions for recovering the intrinsic Lorentzian component of simulated line shapes, In this work, an analytical approach to the approximation is presented which is valid for the range of Voigt line shapes in which either the Lorentzian or Gaussian component is dominant. With an empirical analysis of the approximation, the direct recovery of T-2, values from simulated line shapes is also discussed. (C) 2000 Academic Press.
引用
收藏
页码:57 / 63
页数:7
相关论文
共 14 条
[1]  
BRUCE SD, 1996, BOOK ABSTR, P346
[2]  
FREISE A, 1995, B MAGN RESON, V17, P302
[3]   Accurate numerical approximation to the Gauss-Lorentz lineshape [J].
Grivet, JP .
JOURNAL OF MAGNETIC RESONANCE, 1997, 125 (01) :102-106
[4]  
JANSSON PA, 1984, DECONVOLUTION APPL S, P23
[5]   NEW APPROXIMATION TO VOIGT FUNCTION WITH APPLICATIONS TO SPECTRAL-LINE PROFILE ANALYSIS [J].
KIELKOPF, JF .
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA, 1973, 63 (08) :987-995
[6]   Use of voigt lineshape for Quantification of in vivo H-1 spectra [J].
Marshall, I ;
Higinbotham, J ;
Bruce, S ;
Freise, A .
MAGNETIC RESONANCE IN MEDICINE, 1997, 37 (05) :651-657
[7]   A systematic study of the lactate lineshape in PRESS-localized proton spectroscopy [J].
Marshall, I ;
Wild, J .
MAGNETIC RESONANCE IN MEDICINE, 1998, 40 (01) :72-78
[8]   Calculations and experimental studies of the lineshape of the lactate doublet in PRESS-Localized H-1 MRS [J].
Marshall, I ;
Wild, JM .
MAGNETIC RESONANCE IN MEDICINE, 1997, 38 (03) :415-419
[9]   IMPLEMENTATION OF AN EFFICIENT ANALYTICAL APPROXIMATION TO THE VOIGT FUNCTION FOR PHOTOEMISSION LINESHAPE ANALYSIS [J].
MCLEAN, AB ;
MITCHELL, CEJ ;
SWANSTON, DM .
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 1994, 69 (02) :125-132
[10]  
PRESS WH, 1992, NUMERICAL RECIPES C, P683