Abstract
The probabilistic formula provided by Hauptman and Giacovazzo for estimating three-phase invariants when anomalous scatterers are present is revisited. Its main defects are: (a) it is absolutely resistant to any attempt at interpreting it in terms of parameters accessible via the experiment; (b) its calculation is time consuming and requires computing resources. A distribution based on interpretable estimates of the parameters is proposed. The role of the old and the new expressions in the single-wavelength anomalous diffraction (SAD) techniques is discussed, and compared with the role of analogous formulas estimating triplet invariants from isomorphous diffraction data.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
More From: Acta crystallographica. Section A, Foundations of crystallography
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.