New Form of Rational Function in NMR Lineshape Fitting: Application to Four Overlapping Resonances from a Three-Spin System
✍ Scribed by D. E. Roberts; Y. Z. Wu; R. Yusaf; J. Higinbotham; A. J. Shand; I. C. Malcolm
- Publisher
- John Wiley and Sons
- Year
- 1997
- Tongue
- English
- Weight
- 444 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0749-1581
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✦ Synopsis
The analyses of NMR and ESR spectra involve the accurate and fast determination of parameters such as position, width and intensity in the presence of noise. A new frequency domain method, using rational functions based on sets of orthogonal polynomials to simulate the NMR lineshape, has been developed. This method does not require any initial values for the parameters and is not restricted to a particular lineshape. It is illustrated by application to the simulated spectra of the four resonances for the C-26 and C-27 carbon atoms in the 13C NMR spectrum of 16.67 mol.% [25,26,27-13C ] cholesterol in dimyristoylphosphatidylcholine vesicles for various noise levels and spectrometer frequencies.