Data quality metrics extracted from 8hq2.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": "3a18e03b85ca208d794de12652e572f0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.250,
    "b": 98.854,
    "c": 131.258,
    "alpha": 96.21,
    "beta": 100.44,
    "gamma": 91.31
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.930],
    "number_observations_unique": 54802,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09400
      },
      {
        "type": "I/SigI",
        "value": 21.1670
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 6.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.99,2.93],
      "number_observations_unique": 2716,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.94400
        },
        {
          "type": "I/SigI",
          "value": 2.125
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 6.20
        }
      ]
    }
  ]

}
  

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


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