Data quality metrics extracted from 8zkv.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": "c855aa9ee87a3509119c45c7f5f01c6f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 147.567,
    "b": 83.808,
    "c": 143.245,
    "alpha": 90.00,
    "beta": 112.51,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.38,2.56],
    "number_observations_unique": 52178,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1379
      },
      {
        "type": "R(meas)",
        "value": 0.1496
      },
      {
        "type": "R(pim)",
        "value": 0.05753
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 99.83
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.56],
      "number_observations_unique": 5170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9016
        },
        {
          "type": "R(meas)",
          "value": 0.9775
        },
        {
          "type": "R(pim)",
          "value": 0.3744
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.756
        }
      ]
    }
  ]

}
  

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


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