Data quality metrics extracted from 8s7p.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": "022d63691ceb0e654bdd6f86c3ab41bf",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 90.142,
    "b": 143.224,
    "c": 287.748,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.49,2.35],
    "number_observations_unique": 77772,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.170
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 21.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.35],
      "number_observations": 72661,
      "number_observations_unique": 4521,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.295
        },
        {
          "type": "R(meas)",
          "value": 3.403
        },
        {
          "type": "R(pim)",
          "value": 0.836
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 16.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.488
        }
      ]
    }
  ]

}
  

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


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