Modeling NMR lineshapes using logspline density functions.
نویسندگان
چکیده
Distortions in the FID and spin echo due to magnetic field inhomogeneity are proved to have a representation as the characteristic function of some probability distribution. In the special case that the distribution is Cauchy, the model reduces to the conventional Lorentzian model. A more general and flexible representation is presented using the Fourier transform of a logspline density. An algorithm for fitting the model is described, the performance of the model and algorithm is investigated in applications to real and simulated data sets, and the logspline approach is compared to a previous Hermitian spline approach and to the Lorentzian model. The logspline model is more parsimonious than the Hermitian spline model, provides a better fit to real data, and is much less biased than the Lorentzian model.
منابع مشابه
Logspline Density Estimation under Censoring and Truncation
In this paper we consider logspline density estimation for data that may be lefttruncated or right-censored. For randomly left-truncated and right-censored data the product-limit estimator is known to be a consistent estimator of the survivor function, having a faster rate of convergence than many density estimators. The product-limit estimator and B-splines are used to construct the logspline ...
متن کاملEffects of tumbling and lateral diffusion on phosphatidylcholine model membrane 31P-NMR lineshapes.
Two factors determining the isotropic motional averaging of NMR spectra obtained from lipids in model and biological membranes systems are particle tumbling and lateral diffusion. The influence of these motions (of which the magnitudes are detemined by the medium viscosity and temperature) on the 31P-NMR spectra arising from unilamellar dioleoyl phosphatidylcholine vesicles of a defined size ar...
متن کاملOptimal Zeeman-NQR Powder Lineshape Calculations
The powder lineshapes, associated with Zeeman-NQR A\m\= + 1 transitions for half-integer spin from 3/2 and 7/2 are derived using an optimized (6, (j)) sampling algorithm for the intensity response. The 1 = 3/2 system is examined over the full asymmetry range, whereas the I >3/2 lineshapes are calculated for r j^0.35. The algorithm adopted is modelled on the concepts in the earlier NMR lineshape...
متن کاملCalculated and measured Auger lineshapes in clean Si ( 100 ) 2 X 1 , SiO
The measurements were performed on the clean 2 x 1 reconstructed Si(100) surface and this surface exposed to molecular oxygen (0,) or nitric oxide (NO) at room temperature. The data were corrected for electron loss and spectrometer distortions using our newly developed deconvolution method. This method which uses global approximation and spline functions can overcome several difficulties with r...
متن کاملOrientational disorder in plastic molecular crystals - III. - Infrared and Raman spectroscopy of internal modes
2014 The formalism of symmetry adapted functions for molecular orientations introduced previously [5, 6] is here applied to the analysis of the Raman and infrared spectroscopy of internal modes in orientationally disordered molecular crystals. In some favorable cases, the contribution to the Raman and infrared lineshapes arising from the rotational dynamics of the molecules can be disentangled ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Journal of magnetic resonance
دوره 127 2 شماره
صفحات -
تاریخ انتشار 1997