Data quality metrics extracted from 6r79.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": "e386ef6c07afababf19678b7c458e2f7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.762,
    "b": 64.825,
    "c": 86.546,
    "alpha": 107.52,
    "beta": 90.99,
    "gamma": 94.80
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.55,1.9],
    "number_observations_unique": 67023,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.58
      },
      {
        "type": "Completeness",
        "value": 94.65
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.900],
      "number_observations_unique": 6850,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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