Data quality metrics extracted from 9kbs.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": "758e72c5abe30f68c3b0940b42b45afe",
  "space_group_name": "P 2 2 21",
  "unit_cell": {
    "a": 50.01,
    "b": 54.90,
    "c": 161.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.62,2.27],
    "number_observations_unique": 21246,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.54
      },
      {
        "type": "Completeness",
        "value": 99.65
      },
      {
        "type": "Redundancy",
        "value": 12.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.351,2.27],
      "number_observations_unique": 2049,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.747
        }
      ]
    }
  ]

}
  

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


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