Journal
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
Volume 60, Issue -, Pages 1220-1228Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0907444904009990
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Funding
- NIGMS NIH HHS [1P01GM063210, P01 GM063210] Funding Source: Medline
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Recently, the multivariate complex normal distribution has been used to develop a maximum-likelihood probability function for single-wavelength anomalous diffraction phasing and refinement of heavy-atom parameters [Pannu & Read ( 2004), Acta Cryst. D60, 22 - 27]. The function accounts explicitly for the correlations between the observed and calculated Friedel mates and their errors. However, the method of derivation of the equation described by Pannu & Read ( 2004) leads to a complicated likelihood expression that suffers from a number of algorithmic limitations. Here, an alternative derivation of the P-SAD function is described that leads to simplified algorithmic requirements and that allows an intuitive understanding of the expression.
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