_exptl.method

  The method used in the experiment.

_diffrn_source.source

  The general class of the radiation source.

_diffrn_source.type

  The make, model or name of the source of radiation.

_diffrn.ambient_temp

  The mean temperature in kelvins at which the intensities were
  measured.

_diffrn_detector.detector

  The general class of the radiation detector.

_diffrn_detector.type

  The make, model or name of the detector device used.

_software.classification

  The classification of the program according to its
  major function.

_symmetry.space_group_name_H-M

  Hermann-Mauguin space-group symbol. Note that the
  Hermann-Mauguin symbol does not necessarily contain complete
  information about the symmetry and the space-group origin. If
  used, always supply the FULL symbol from International Tables
  for Crystallography Vol. A (2002) and indicate the origin and
  the setting if it is not implicit. If there is any doubt that
  the equivalent positions can be uniquely deduced from this
  symbol, specify the  _symmetry_equiv.pos_as_xyz or
  _symmetry.space_group_name_Hall  data items as well. Leave
  spaces between symbols referring to
  different axes.

_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}

  Unit-cell length a corresponding to the structure reported in
  angstroms.

  Unit-cell length b corresponding to the structure reported in
  angstroms.

  Unit-cell length c corresponding to the structure reported in
  angstroms.

  Unit-cell angle alpha of the reported structure in degrees.

  Unit-cell angle beta of the reported structure in degrees.

  Unit-cell angle gamma of the reported structure in degrees.

_diffrn_radiation_wavelength.wavelength

_reflns.d_resolution_low

  The largest value in angstroms for the interplanar spacings
  for the reflection data. This is called the lowest resolution.

_reflns.d_resolution_high

  The smallest value in angstroms for the interplanar spacings
  for the reflection data. This is called the highest resolution.

_reflns.number_obs

  The number of reflections in the REFLN list (not the DIFFRN_REFLN
  list) classified as observed (see _reflns.observed_criterion).
  This number may contain Friedel-equivalent reflections according
  to the nature of the structure and the procedures used.

_entry.id

_pdbx_database_status.recvd_initial_deposition_date

_refine.ls_d_res_low _refine.ls_d_res_high

_refine.ls_R_factor_obs

_refine.ls_R_factor_R_work