Data quality metrics extracted from 8hks.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": "616b26b12aae8b41d5c7d651d64b6086",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 81.006,
    "b": 86.333,
    "c": 103.619,
    "alpha": 90.00,
    "beta": 112.44,
    "gamma": 90.00
  },
  "wavelengths": [0.97919],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [95.77,2.8],
    "number_observations_unique": 31716,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.27
      },
      {
        "type": "Completeness",
        "value": 94.78
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9,2.8],
      "number_observations_unique": 2855,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    }
  ]

}
  

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


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