Data items in the PHASING_SET category record details about
the data sets used in a phasing experiment. A given data set
may be used in a number of different ways; for instance, a
single data set could be used both as an isomorphous derivative
and as a component of a multi-wavelength calculation. This
category establishes identifiers for each data set, and permits
the archiving of a subset of experimental information for each
data set (cell constants, wavelength, temperature, etc.)
This and related categories of data items are provided so that
derivative intensity and phase information can be stored in
the same data block as the information for the refined
structure.
If it is deemed desirable to archive all possible experimental
information for each data set (raw data sets, crystal growth
conditions, etc.) those data items should be recorded in a
separate data block.