Data quality metrics extracted from 6cq1.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": "ccc00bf733de3f0ffd574c53fced980a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.012,
    "b": 39.621,
    "c": 55.225,
    "alpha": 83.654,
    "beta": 73.633,
    "gamma": 66.980
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.47,1.69],
    "number_observations_unique": 22269,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.5
      },
      {
        "type": "Completeness",
        "value": 86.6
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.738
        }
      ]
    }
  ]

}
  

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


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