Data quality metrics extracted from 1qox.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": "b18e0cba5b17c3ea6fcee9a3a57d7ef3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 116.4,
    "b": 122.3,
    "c": 163.2,
    "alpha": 89.3,
    "beta": 74.3,
    "gamma": 68.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.000,2.690],
    "number_observations_unique": 186165,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07600
      },
      {
        "type": "I/SigI",
        "value": 8.7000
      },
      {
        "type": "Completeness",
        "value": 83.7
      },
      {
        "type": "Redundancy",
        "value": 1.630
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.69],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32200
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 66.0
        },
        {
          "type": "Redundancy",
          "value": 1.47
        }
      ]
    }
  ]

}
  

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


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