Data quality metrics extracted from 5ouj.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": "8db3622517e2eee735e6d80533effb0c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.050,
    "b": 46.979,
    "c": 47.283,
    "alpha": 76.40,
    "beta": 67.57,
    "gamma": 77.40
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.9,0.96],
    "number_observations_unique": 173015,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 48.21
      },
      {
        "type": "Completeness",
        "value": 92.5
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.99,0.96],
      "number_observations_unique": 14408,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 3.43
        },
        {
          "type": "Completeness",
          "value": 77.4
        },
        {
          "type": "Redundancy",
          "value": 2.7
        }
      ]
    }
  ]

}
  

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


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