Data quality metrics extracted from 8pu3.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": "4a98342c34f3f4b086edcfd06200192c",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 51.957,
    "b": 106.231,
    "c": 135.105,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.4,2.14],
    "number_observations_unique": 26913,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 39.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.36,2.14],
      "number_observations_unique": 1346,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.66
        }
      ]
    }
  ]

}
  

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


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