Data quality metrics extracted from 5kyo.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": "062b2974a790c8e8ac9a9f5f818ae741",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 99.426,
    "b": 100.031,
    "c": 99.963,
    "alpha": 63.46,
    "beta": 63.66,
    "gamma": 63.67
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.57,1.80],
    "number_observations_unique": 261465,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 4.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.838
        }
      ]
    }
  ]

}
  

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


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