Data quality metrics extracted from 3gqu.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": "a69d0dbb359c8ede438d16c4cea5f5bd",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 73.604,
    "b": 73.604,
    "c": 114.279,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.50200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.682,1.957],
    "number_observations_unique": 13956,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 4.944
      },
      {
        "type": "Completeness",
        "value": 84.700
      },
      {
        "type": "Redundancy",
        "value": 21.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,1.95],
      "number_observations": 5530,
      "number_observations_unique": 888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Completeness",
          "value": 27.00
        },
        {
          "type": "Redundancy",
          "value": 6.20
        }
      ]
    }
  ]

}
  

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


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