Data quality metrics extracted from 8u69.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": "e20210f707b6b3bfa110159d5c7c0140",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 222.739,
    "b": 68.211,
    "c": 103.509,
    "alpha": 90.00,
    "beta": 107.43,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.75,2.45],
    "number_observations": 323183,
    "number_observations_unique": 54082,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.100
      },
      {
        "type": "R(pim)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.45],
      "number_observations": 48041,
      "number_observations_unique": 7812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.573
        },
        {
          "type": "R(meas)",
          "value": 1.718
        },
        {
          "type": "R(pim)",
          "value": 0.683
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 6.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.486
        }
      ]
    }
  ]

}
  

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


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