Data quality metrics extracted from 8pku.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": "0f0eb28754446a8652d00df2e74022f0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 161.960,
    "b": 68.583,
    "c": 77.720,
    "alpha": 90.00,
    "beta": 117.45,
    "gamma": 90.00
  },
  "wavelengths": [0.99988],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.10,1.73],
    "number_observations_unique": 78891,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.08
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 6.72
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.73],
      "number_observations_unique": 12656,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.09
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.592
        }
      ]
    }
  ]

}
  

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


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