Triplet phase invariants from single isomorphous replacement or one-wavelength anomalous dispersion data, given heavy-atom information
- 1 July 1986
- journal article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section A Foundations of Crystallography
- Vol. 42 (4) , 246-253
- https://doi.org/10.1107/s010876738609935x
Abstract
Certain general algebraic formulas for computing triplet phase invariants become accessible when structural information is available concerning the replacement atoms in isomorphous replacement or the predominant type of anomalously scattering atoms in one-wavelength anomalous dispersion experiments. The formulas of interest are presented and subjected to a number of test calculations to obtain insight into their accuracy and to determine the effects of errors in the data. The formulas are simple to calculate and some possible strategies for their use are discussed.Keywords
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