Data quality metrics extracted from 8r2z.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": "299118ef9bd90bbca2d11f44ce12c87f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.438,
    "b": 45.514,
    "c": 116.923,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.67410],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [58.461,1.098],
    "number_observations_unique": 97267,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 7.7
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 12.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.117,1.098],
      "number_observations_unique": 4763,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 1.162
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 12.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.337
        }
      ]
    }
  ]

}
  

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


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