Data quality metrics extracted from 44ac.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "03b83f3acca64ada159b63052413742a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 211.880,
    "b": 50.669,
    "c": 65.336,
    "alpha": 90.00,
    "beta": 107.06,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.81,1.97],
    "number_observations_unique": 43719,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.41
      },
      {
        "type": "Completeness",
        "value": 92.8
      },
      {
        "type": "Redundancy",
        "value": 3.59
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,1.97],
      "number_observations_unique": 14053,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.959
        }
      ]
    }
  ]

}
  

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


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