Data quality metrics extracted from 8yr6.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": "ad4c7ed41492c3d41c14b0929b641b30",
  "space_group_name": "I 2 3",
  "unit_cell": {
    "a": 160.497,
    "b": 160.497,
    "c": 160.497,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.89,2.44],
    "number_observations": 1041621,
    "number_observations_unique": 25695,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.256
      },
      {
        "type": "R(meas)",
        "value": 0.260
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 11.0
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 40.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.44],
      "number_observations": 113789,
      "number_observations_unique": 2868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.209
        },
        {
          "type": "R(meas)",
          "value": 5.276
        },
        {
          "type": "R(pim)",
          "value": 0.836
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 39.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.483
        }
      ]
    }
  ]

}
  

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


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