Data quality metrics extracted from 1bqk.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": "992430fc5455acf66cc7ef7d31554911",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 56.731,
    "b": 61.544,
    "c": 30.083,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [8.0,1.35],
    "number_observations_unique": 21303,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0850000
      },
      {
        "type": "I/SigI",
        "value": 8.0
      },
      {
        "type": "Completeness",
        "value": 88.8
      },
      {
        "type": "Redundancy",
        "value": 10.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.4,1.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1820000
        },
        {
          "type": "Completeness",
          "value": 56
        },
        {
          "type": "Redundancy",
          "value": 3.4
        }
      ]
    }
  ]

}
  

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


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