Data quality metrics extracted from 3gkm.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": "e3ac53792a0e53b503058aab48670689",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 35.397,
    "b": 51.421,
    "c": 39.844,
    "alpha": 90.000,
    "beta": 103.243,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.000,1.530],
    "number_observations_unique": 20772,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03300
      },
      {
        "type": "I/SigI",
        "value": 37.9080
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 3.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.53],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12700
        },
        {
          "type": "I/SigI",
          "value": 10.836
        },
        {
          "type": "Completeness",
          "value": 96.6
        },
        {
          "type": "Redundancy",
          "value": 3.80
        }
      ]
    }
  ]

}
  

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


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