Data quality metrics extracted from 9ndb.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": "a0a2e09ad3534ae621103b4cf3b28b27",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 108.119,
    "b": 108.119,
    "c": 90.550,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00001],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.091,4.07],
    "number_observations_unique": 2180,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 86.7
      },
      {
        "type": "Redundancy",
        "value": 10.7
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.518,4.074],
      "number_observations_unique": 197,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.348
        }
      ]
    },
    {
      "resolution_limits": [65.091,10.261],
      "number_observations_unique": 198,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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