Data quality metrics extracted from 8r7z.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": "837c58b296929b00c662a6b9d06cf4fb",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 159.955,
    "b": 159.955,
    "c": 159.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97626],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.17,3.26],
    "number_observations": 230484,
    "number_observations_unique": 10697,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.179
      },
      {
        "type": "R(meas)",
        "value": 0.184
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 8.7
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 21.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.52,3.26],
      "number_observations": 41538,
      "number_observations_unique": 2115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.142
        },
        {
          "type": "R(meas)",
          "value": 5.280
        },
        {
          "type": "R(pim)",
          "value": 1.171
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 19.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.204
        }
      ]
    }
  ]

}
  

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


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