Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category PHASING_SET

Name:
'phasing_set'

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
   structure.

   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.

Example:

Example 1 - based on laboratory records for an Hg/Pt derivative of protein NS1.
 
    _phasing_set.id                    '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'



Category groups:
    inclusive_group
    phasing_group
Category key:
    _phasing_set.id

Mandatory category: no