Differences between versions 2.1 and 2.0.x of the Core CIF Dictionary

Contents

• New data names have been introduced to accord with recommendations of the IUCr Commission on Crystallographic Nomenclature. The phrase "standard uncertainty" and abbreviation "s.u." replace "estimated standard deviation" and "e.s.d." in many cases, and references to "observed" reflections have been replaced by reference to reflections exceeding a certain threshold. Older data names remain in the dictionary, but they carry the directive _related_function replace in conjunction with the recommended new data name.
• Some data names have been introduced to describe the resolution and data collection completeness of area detectors:

  _diffrn_detector_area_resol_mean
  _diffrn_measured_fraction_theta_max
  _diffrn_measured_fraction_theta_full
  _diffrn_reflns_theta_full 

• The proportion of Friedel related reflections present in the number of 'independent reflections' is specified by _reflns_Friedel_coverage
• Absolute configuration described by _chemical_absolute_configuration
• New categories to describe binning of reflections in the raw data set and in the refinement list

  _diffrn_reflns_class_[]
  _reflns_class_[] 

Copyright © 1999 International Union of Crystallography