Data quality metrics extracted from 1gqj.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": "b69a89bbe6933a4d58e9eb833a989811",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 69.561,
    "b": 74.609,
    "c": 87.450,
    "alpha": 115.23,
    "beta": 93.15,
    "gamma": 109.17
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.900],
    "number_observations_unique": 109005,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089000
      },
      {
        "type": "I/SigI",
        "value": 9.4000
      },
      {
        "type": "Completeness",
        "value": 95.0
      },
      {
        "type": "Redundancy",
        "value": 2.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.39700
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 93.4
        },
        {
          "type": "Redundancy",
          "value": 2.30
        }
      ]
    }
  ]

}
  

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


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