Data quality metrics extracted from 4zq3.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": "ec622bb2f1de72ee99156e7c8e27add4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.085,
    "b": 60.217,
    "c": 38.037,
    "alpha": 90.00,
    "beta": 93.03,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.90],
    "number_observations": 117365,
    "number_observations_unique": 11102,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0295
      },
      {
        "type": "I/SigI",
        "value": 21.60
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 10.13
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.90],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.52
        },
        {
          "type": "Completeness",
          "value": 98.2
        },
        {
          "type": "Redundancy",
          "value": 5.62
        }
      ]
    }
  ]

}
  

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


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