Data quality metrics extracted from 6hks.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": "bccc49b4ff1a0cfef91ca54c9bc9c94e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.62,
    "b": 77.43,
    "c": 130.03,
    "alpha": 90.00,
    "beta": 90.14,
    "gamma": 90.00
  },
  "wavelengths": [0.97855],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.62,2.19],
    "number_observations_unique": 47024,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 8.17
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.19],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.11
        },
        {
          "type": "Completeness",
          "value": 95.7
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.726
        }
      ]
    }
  ]

}
  

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


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