Data quality metrics extracted from 3gdd.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": "e65b1ac2342a8f18c833482dd793893e",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 29.698,
    "b": 29.698,
    "c": 60.883,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90700,0.92100,0.92000,0.86100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.26,2.8],
    "number_observations_unique": 757,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "Completeness",
        "value": 99.01
      },
      {
        "type": "Redundancy",
        "value": 8.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.89,2.8],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.9
        }
      ]
    }
  ]

}
  

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


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