Data quality metrics extracted from 6xad.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": "5a87f6e63720735116e710f96677f409",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.357,
    "b": 53.071,
    "c": 54.831,
    "alpha": 90.000,
    "beta": 107.963,
    "gamma": 90.000
  },
  "wavelengths": [1.07810],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.10,1.89],
    "number_observations_unique": 20100,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.94,1.89],
      "number_observations_unique": 1215,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.514
        }
      ]
    }
  ]

}
  

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


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