Data quality metrics extracted from 1gk9.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": "634adf2deccc61ba3bec0e2170acb47d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.3,
    "b": 131.6,
    "c": 63.9,
    "alpha": 90.0,
    "beta": 105.9,
    "gamma": 90.0
  },
  "wavelengths": [0.89000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.300],
    "number_observations_unique": 190229,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07500
      },
      {
        "type": "I/SigI",
        "value": 20.5000
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 3.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.31,1.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24400
        },
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 82.0
        }
      ]
    }
  ]

}
  

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


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