Data quality metrics extracted from 5hk4.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": "8db9b65acb5990c86b1513026a70fbe1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 76.09,
    "b": 100.41,
    "c": 100.32,
    "alpha": 113.06,
    "beta": 88.86,
    "gamma": 108.01
  },
  "wavelengths": [0.97970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [81.960,2.150],
    "number_observations_unique": 133906,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11500
      },
      {
        "type": "I/SigI",
        "value": 11.8800
      },
      {
        "type": "Completeness",
        "value": 95.2
      },
      {
        "type": "Redundancy",
        "value": 4.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.15],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32900
        },
        {
          "type": "I/SigI",
          "value": 1.900
        },
        {
          "type": "Completeness",
          "value": 87.6
        },
        {
          "type": "Redundancy",
          "value": 1.75
        }
      ]
    }
  ]

}
  

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


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