Data quality metrics extracted from 7uu3.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": "fd279ac54d7a19d9ba649b04d987de6d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.709,
    "b": 67.192,
    "c": 79.624,
    "alpha": 98.29,
    "beta": 108.72,
    "gamma": 112.66
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.099],
    "number_observations_unique": 61081,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.89
      },
      {
        "type": "Completeness",
        "value": 98.24
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.099],
      "number_observations_unique": 4248,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.7
        },
        {
          "type": "Redundancy",
          "value": 2.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.557
        }
      ]
    }
  ]

}
  

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


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