Data quality metrics extracted from 8aa8.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": "a764683012dcf7235b3e4181e698dffa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 24.306,
    "b": 35.067,
    "c": 48.897,
    "alpha": 91.36,
    "beta": 89.95,
    "gamma": 92.18
  },
  "wavelengths": [0.96000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.88,1.71],
    "number_observations_unique": 15519,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 1.6
      },
      {
        "type": "Completeness",
        "value": 92
      },
      {
        "type": "Redundancy",
        "value": 1.72
      },
      {
        "type": "CC(1/2)",
        "value": 0.936
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.71],
      "number_observations_unique": 2560,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.255
        }
      ]
    }
  ]

}
  

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


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