Data quality metrics extracted from 7ouj.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": "daa9fb8134512cef326aad377ae7dad5",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 77.323,
    "b": 57.514,
    "c": 122.379,
    "alpha": 90.000,
    "beta": 95.183,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.08,1.57],
    "number_observations_unique": 70014,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 94
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.57],
      "number_observations_unique": 10481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.7
        }
      ]
    }
  ]

}
  

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


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