Data Category phasing_set


Category name
Required in PDB entries
Category group membership
Used in current PDB entries
Yes, in about 0.09 % of entries

Category Relationship Diagrams

View full category relationship diagram including all dictionary data categories
View abbreviated category relationship diagram including only those categories used in current PDB entries.

Category Description

               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 multiple-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

               If all the possible experimental information for each data
               set (raw data sets, crystal growth conditions etc.) is to be
               archived, these data items should be recorded in a separate
               data block.

Category Example                    'NS1-96'
    _phasing_set.cell_angle_alpha      90.0
    _phasing_set.cell_angle_beta       90.0
    _phasing_set.cell_angle_gamma      90.0
    _phasing_set.cell_length_a         38.63
    _phasing_set.cell_length_b         38.63
    _phasing_set.cell_length_c         82.88
    _phasing_set.radiation_wavelength  1.5145
    _phasing_set.detector_type         'image plate'
    _phasing_set.detector_specific     'RXII'

Key Data Items