Data quality metrics extracted from 3bhh.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": "ddb06b2ab68be93a28f23dd4bd243944",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 173.4,
    "b": 79.2,
    "c": 98.7,
    "alpha": 90.0,
    "beta": 104.5,
    "gamma": 90.0
  },
  "wavelengths": [0.97649],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.78,2.40],
    "number_observations_unique": 50690,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1157
      },
      {
        "type": "I/SigI",
        "value": 9.77
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.76
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.50,2.40],
      "number_observations_unique": 5776,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4431
        },
        {
          "type": "I/SigI",
          "value": 2.69
        },
        {
          "type": "Completeness",
          "value": 97.6
        },
        {
          "type": "Redundancy",
          "value": 3.65
        }
      ]
    }
  ]

}
  

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


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