Data quality metrics extracted from 11kr.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d3eab8eeecf31c9a632b6b4ba69e43d3",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 71.754,
    "b": 71.754,
    "c": 89.505,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.32,2.48],
    "number_observations_unique": 134886,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 0.68
      },
      {
        "type": "Completeness",
        "value": 99.18
      },
      {
        "type": "Redundancy",
        "value": 17.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.972
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.48],
      "number_observations_unique": 5233,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.82
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.00852
        }
      ]
    }
  ]

}
  

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


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