Data quality metrics extracted from 8q3l.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": "dc101d3c4e351feefeb7c7ec3500df5d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.6,
    "b": 83.7,
    "c": 100.4,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.66,2.10],
    "number_observations_unique": 50856,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.87
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 26.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "number_observations_unique": 2844,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.49
        }
      ]
    }
  ]

}
  

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


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