Data quality metrics extracted from 6koy.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": "a1d616799c194b15e875e987c279ea7c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.833,
    "b": 57.457,
    "c": 69.492,
    "alpha": 89.754,
    "beta": 82.636,
    "gamma": 67.928
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.89,2.35],
    "number_observations_unique": 29930,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.3
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.35],
      "number_observations_unique": 2663,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    }
  ]

}
  

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


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