title: Reduction of density-modification bias by β correction.
abstract: Density modification often suffers from an overestimation of phase quality, as seen by escalated figures of merit. A new cross-validation-based method to address this estimation bias by applying a bias-correction parameter 'β' to maximum-likelihood phase-combination functions is proposed. In tests on over 100 single-wavelength anomalous diffraction data sets, the method is shown to produce much more reliable figures of merit and improved electron-density maps. Furthermore, significantly better results are obtained in automated model building iterated with phased refinement using the more accurate phase probability parameters from density modification.
authors: Biophysical Structural Chemistry, Leiden University, Leiden, The Netherlands. p.skubak@chem.leidenuniv.nl
authors: Pavol
authors: P
authors: Skubák
authors: Navraj S
authors: NS
authors: Pannu
mesh_terms: D057205:Automation, Laboratory; D018360:Crystallography, X-Ray / Q000379:methods*; D016013:Likelihood Functions; D008958:Models, Molecular; D011336:Probability