Data quality metrics extracted from 6zqq.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": "5a38c41cd0352b3165703c902f3a26f5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.289,
    "b": 64.306,
    "c": 65.555,
    "alpha": 107.90,
    "beta": 99.85,
    "gamma": 99.72
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.9330,1.9],
    "number_observations_unique": 61932,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.14
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 5.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.9],
      "number_observations_unique": 5998,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.825
        }
      ]
    }
  ]

}
  

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


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