Data quality metrics extracted from 7kz5.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": "b3e6736eaa46365bc90bb56dddf0b43c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.67,
    "b": 66.60,
    "c": 111.78,
    "alpha": 77.35,
    "beta": 81.06,
    "gamma": 87.91
  },
  "wavelengths": [0.81400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.7480,1.6],
    "number_observations_unique": 227037,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04613
      },
      {
        "type": "R(meas)",
        "value": 0.06249
      },
      {
        "type": "R(pim)",
        "value": 0.04186
      },
      {
        "type": "I/SigI",
        "value": 10.49
      },
      {
        "type": "Completeness",
        "value": 92.80
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.657,1.6],
      "number_observations_unique": 22494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3387
        },
        {
          "type": "R(meas)",
          "value": 0.4623
        },
        {
          "type": "R(pim)",
          "value": 0.3128
        },
        {
          "type": "Completeness",
          "value": 92.03
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.784
        }
      ]
    }
  ]

}
  

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


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