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

Syntax

A full revision history lists all the changes made to the working draft of the dictionary. Significant changes include:

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"s.u." replace "estimated standard deviation" and "e.s.d." in many cases, and references to "observed" reflections have been replaced by reference to reflections exceeding a certain threshold.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_[] 
```