Data quality metrics extracted from 6x6v.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": "cf1f1dfd26a59e5c32610a59a1cc99a5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 82.77,
    "b": 101.10,
    "c": 104.33,
    "alpha": 98.80,
    "beta": 112.36,
    "gamma": 106.72
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.91,2.4],
    "number_observations_unique": 114511,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.85
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 1.97
      },
      {
        "type": "CC(1/2)",
        "value": 0.957
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.47,2.4],
      "number_observations_unique": 17202,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.34
        }
      ]
    }
  ]

}
  

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


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