Data quality metrics extracted from 1grt.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "0292e577dbc095ca429ac12d6b553a24",
  "space_group_name": "B 1 1 2",
  "unit_cell": {
    "a": 119.8,
    "b": 84.5,
    "c": 63.2,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 58.7
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [10.0,2.20],
    "number_observations_unique": 33199,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "Completeness",
        "value": 85.4
      },
      {
        "type": "Redundancy",
        "value": 1.6
      }
    ]
  }
}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):