Data quality metrics extracted from 8q8o.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": "ffdd6cbf215624b6b4c763f41edb4681",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 68.862,
    "b": 68.862,
    "c": 281.073,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.64900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.85,2.70],
    "number_observations_unique": 11686,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.169
      },
      {
        "type": "R(meas)",
        "value": 0.173
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 22.9
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 21.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.70],
      "number_observations_unique": 1478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.099
        },
        {
          "type": "R(meas)",
          "value": 1.126
        },
        {
          "type": "R(pim)",
          "value": 0.243
        },
        {
          "type": "I/SigI",
          "value": 5.0
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    }
  ]

}
  

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


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