In what follows, proposed new category and item names are shown with a prefix gphl
.
Some of the changes suggested below are also applicable to isotropic data processing, however they have arisen from the consideration of anisotropic cases where they are particularly important.
The mmCIF dictionary currently has one measure of completeness. For an entire data set it is _reflns.percent_possible_obs and for a resolution-defined shell it is _reflns_shell.percent_possible_obs. These items refer to data within two cut-off surfaces that are defined by low and high resolution limits, and are therefore spherical. An anisotropic treatment of the data requires the completeness to be calculated taking into account a non-spheri