Data quality metrics extracted from 6zk8.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": "8a33933d4f1a8c8bc05c4598f75d733b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.871,
    "b": 156.609,
    "c": 76.065,
    "alpha": 90.00,
    "beta": 137.62,
    "gamma": 90.00
  },
  "wavelengths": [1.83000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.04,1.83],
    "number_observations_unique": 47259,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 7.7
      },
      {
        "type": "Completeness",
        "value": 88.8
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.83],
      "number_observations_unique": 2363,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.815
        },
        {
          "type": "R(pim)",
          "value": 0.456
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    }
  ]

}
  

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


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