Data quality metrics extracted from 7kz3.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": "5df50cd4dbf78ef26626cee0a9de3075",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.46,
    "b": 66.68,
    "c": 111.83,
    "alpha": 81.08,
    "beta": 77.41,
    "gamma": 88.05
  },
  "wavelengths": [0.81400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.2441,1.55],
    "number_observations_unique": 251426,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03018
      },
      {
        "type": "R(meas)",
        "value": 0.04084
      },
      {
        "type": "R(pim)",
        "value": 0.02732
      },
      {
        "type": "I/SigI",
        "value": 16.29
      },
      {
        "type": "Completeness",
        "value": 93.56
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.605,1.55],
      "number_observations_unique": 25082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2868
        },
        {
          "type": "R(pim)",
          "value": 0.2606
        },
        {
          "type": "I/SigI",
          "value": 2.87
        },
        {
          "type": "Completeness",
          "value": 93.68
        },
        {
          "type": "Redundancy",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.845
        }
      ]
    }
  ]

}
  

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


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