Data quality metrics extracted from 2wqu.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": "48f83abe3a555cc706f32d18e6b3969f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.66,
    "b": 70.65,
    "c": 124.66,
    "alpha": 74.47,
    "beta": 83.13,
    "gamma": 85.65
  },
  "wavelengths": [0.87300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.600],
    "number_observations_unique": 55139,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14000
      },
      {
        "type": "I/SigI",
        "value": 10.1300
      },
      {
        "type": "Completeness",
        "value": 92.1
      },
      {
        "type": "Redundancy",
        "value": 4.960
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.67,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.70000
        },
        {
          "type": "I/SigI",
          "value": 2.590
        },
        {
          "type": "Completeness",
          "value": 74.8
        },
        {
          "type": "Redundancy",
          "value": 3.42
        }
      ]
    }
  ]

}
  

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


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