Measurement of weak reflexions is often skipped by computer-controlled diffractometers. Such a practice can cause systematic errors in the scale and thermal factors as calculated by a Wilson plot, with consequent difficulties for the solution of the crystal structure by direct methods. A simple statistical method for estimating unobserved reflexions is described together with applications of the method.
ABOUT THE TREATMENT OF WEAK REFLECTIONS IN DIRECT PROCEDURES
CASCARANO G;GUAGLIARDI;
1991
Abstract
Measurement of weak reflexions is often skipped by computer-controlled diffractometers. Such a practice can cause systematic errors in the scale and thermal factors as calculated by a Wilson plot, with consequent difficulties for the solution of the crystal structure by direct methods. A simple statistical method for estimating unobserved reflexions is described together with applications of the method.File in questo prodotto:
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