Data quality metrics extracted from 6xxg.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": "0ea285a781f8dd66c92f1dd2be5a7360",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 72.321,
    "b": 87.367,
    "c": 181.865,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.549,2.099],
    "number_observations_unique": 67987,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.87
      },
      {
        "type": "Completeness",
        "value": 99.08
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.913
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.175,2.1],
      "number_observations_unique": 6677,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.48
        },
        {
          "type": "CC(1/2)",
          "value": 0.444
        }
      ]
    }
  ]

}
  

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


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