Data quality metrics extracted from 6rnq.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": "ca0a70b651e178ab16027c1d9ab61ca5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 64.219,
    "b": 54.972,
    "c": 103.640,
    "alpha": 90.0,
    "beta": 104.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.40,1.95],
    "number_observations_unique": 51558,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.96
      },
      {
        "type": "Completeness",
        "value": 99.17
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  }
}
  

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


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