Data quality metrics extracted from 8ub2.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": "7aaa1b9aa04eb8eb1111fc235d06a2a4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 101.054,
    "b": 32.514,
    "c": 72.935,
    "alpha": 90.00,
    "beta": 90.81,
    "gamma": 90.00
  },
  "wavelengths": [1.34180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.64,1.60],
    "number_observations_unique": 29170,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0835
      },
      {
        "type": "I/SigI",
        "value": 5.47
      },
      {
        "type": "Completeness",
        "value": 91.9
      },
      {
        "type": "Redundancy",
        "value": 2.25
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.70,1.60],
      "number_observations_unique": 4826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.542
        },
        {
          "type": "I/SigI",
          "value": 1.35
        },
        {
          "type": "Completeness",
          "value": 92.6
        },
        {
          "type": "Redundancy",
          "value": 1.35
        }
      ]
    }
  ]

}
  

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


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