Data quality metrics extracted from 8dsf.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": "b417cf394e7bc1c99fb2510e279e5fce",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 28.99,
    "b": 30.77,
    "c": 118.63,
    "alpha": 96.70,
    "beta": 90.22,
    "gamma": 111.08
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.519,1.391],
    "number_observations_unique": 47320,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 10.6
      },
      {
        "type": "Completeness",
        "value": 72.4
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.495,1.391],
      "number_observations_unique": 2367,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.428
        },
        {
          "type": "Completeness",
          "value": 27.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.506
        }
      ]
    }
  ]

}
  

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


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