Data quality metrics extracted from 7kik.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": "3245201e4224206fdd3eac9267ed893d",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 94.252,
    "b": 94.252,
    "c": 50.107,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.65,1.73],
    "number_observations_unique": 22917,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07361
      },
      {
        "type": "R(meas)",
        "value": 0.0894
      },
      {
        "type": "R(pim)",
        "value": 0.05003
      },
      {
        "type": "I/SigI",
        "value": 14.14
      },
      {
        "type": "Completeness",
        "value": 99.09
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.792,1.73],
      "number_observations_unique": 2283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7564
        },
        {
          "type": "R(meas)",
          "value": 0.9219
        },
        {
          "type": "R(pim)",
          "value": 0.5207
        },
        {
          "type": "I/SigI",
          "value": 1.80
        },
        {
          "type": "Completeness",
          "value": 99.04
        },
        {
          "type": "Redundancy",
          "value": 3.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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


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