Data quality metrics extracted from 6zq3.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": "f0eb51a8ecab2f77ca648ed83fb73ac6",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 59.60,
    "b": 59.60,
    "c": 116.29,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.5,2.4],
    "number_observations_unique": 9827,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 159
      },
      {
        "type": "CC(1/2)",
        "value": 0.91
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 973,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.58
        }
      ]
    }
  ]

}
  

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


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