Proposition: what the paper below describes (map variance) would be rather useful to access routinely (e.g. in coot etc), given that it describes how to calculate by FFT.

Discuss.  (No, I've not read any of it carefully.)




/Acta Cryst./ (2012). A*68*, 464-469  [ doi:10.1107/S0108767312015772 ]


     A practical study of the electron-density-map variance


     C. Giacovazzo and A. Mazzone

An algorithm is described for the calculation of the variance of the electron density /via/ fast Fourier transform. The main features of the ratio /electron density/standard deviation/ are described; it is shown that such a ratio may be considered a useful criterion for estimating, on an absolute scale, the quality of an electron-density map, no matter the quality of the model and the data resolution. In some way, it is a good estimate of the confidence one should have in the reliability of the proposed structure. The ratio was tested both for observed and for difference Fourier syntheses, in order to control the usefulness of the criterion for the most popular maps in crystallography.

Reply via email to