Data quality metrics extracted from 9clu.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": "7a3a4e3553a1d223d277527f0e635cfc",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 105.353,
    "b": 105.353,
    "c": 99.260,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.172,5.747],
    "number_observations_unique": 2656,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.8
      },
      {
        "type": "Completeness",
        "value": 83.8
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.970
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [6.715,5.747],
      "number_observations_unique": 490,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.406
        }
      ]
    },
    {
      "resolution_limits": [67.172,10.795],
      "number_observations_unique": 511,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    }
  ]

}
  

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


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