Skip to main content

A new iterative least-squares method for the extraction of NMR parameters from nonideal powder patterns

Publication ,  Journal Article
Oas, TG; Drobny, GP; Dahlquistt, FW
Published in: Journal of Magnetic Resonance (1969)
January 1, 1988

A new approach to fitting powder patterns via nonlinear least-squares analysis is described. This fitting method is designed to be particularly sensitive to the frequencies of important features and insensitive to discrepancies in intensity between calculated and observed spectra. A description of an optimized powder pattern calculation routine is given with a discussion of the calculation of chemical-shift, dipole-coupled chemical-shift, and nonaxially symmetric quadrupolar powder spectra. Examples of fits of chemical-shift and dipole-coupled chemical-shift powder patterns are shown. The potential applications and limitations of the technique are discussed. © 1988.

Duke Scholars

Published In

Journal of Magnetic Resonance (1969)

DOI

ISSN

0022-2364

Publication Date

January 1, 1988

Volume

78

Issue

3

Start / End Page

408 / 424
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Oas, T. G., Drobny, G. P., & Dahlquistt, F. W. (1988). A new iterative least-squares method for the extraction of NMR parameters from nonideal powder patterns. Journal of Magnetic Resonance (1969), 78(3), 408–424. https://doi.org/10.1016/0022-2364(88)90129-1
Oas, T. G., G. P. Drobny, and F. W. Dahlquistt. “A new iterative least-squares method for the extraction of NMR parameters from nonideal powder patterns.” Journal of Magnetic Resonance (1969) 78, no. 3 (January 1, 1988): 408–24. https://doi.org/10.1016/0022-2364(88)90129-1.
Oas TG, Drobny GP, Dahlquistt FW. A new iterative least-squares method for the extraction of NMR parameters from nonideal powder patterns. Journal of Magnetic Resonance (1969). 1988 Jan 1;78(3):408–24.
Oas, T. G., et al. “A new iterative least-squares method for the extraction of NMR parameters from nonideal powder patterns.” Journal of Magnetic Resonance (1969), vol. 78, no. 3, Jan. 1988, pp. 408–24. Scopus, doi:10.1016/0022-2364(88)90129-1.
Oas TG, Drobny GP, Dahlquistt FW. A new iterative least-squares method for the extraction of NMR parameters from nonideal powder patterns. Journal of Magnetic Resonance (1969). 1988 Jan 1;78(3):408–424.

Published In

Journal of Magnetic Resonance (1969)

DOI

ISSN

0022-2364

Publication Date

January 1, 1988

Volume

78

Issue

3

Start / End Page

408 / 424