Abstract

A general treatment of lineshape analysis by an iterative least-squares method for coupled spin systems undergoing intramolecular exchange is presented. The method is effective because of a general expression for derivatives of sum of squares with respect to shape parameters. The ASESIT computer-program (written in Algol) has been tested on simulated (with addition of noise) AB ⇌ CD and A 2 B ⇌ C 2 D spectra.

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