Data quality metrics extracted from 8qob.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": "81004be93a7efc53fefb23e8953076db",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 145.267,
    "b": 145.267,
    "c": 145.267,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.94,2.74],
    "number_observations_unique": 13539,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1814
      },
      {
        "type": "R(meas)",
        "value": 0.1837
      },
      {
        "type": "R(pim)",
        "value": 0.02917
      },
      {
        "type": "I/SigI",
        "value": 19.41
      },
      {
        "type": "Completeness",
        "value": 99.86
      },
      {
        "type": "Redundancy",
        "value": 39.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.84,2.74],
      "number_observations_unique": 1314,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.504
        },
        {
          "type": "R(meas)",
          "value": 1.523
        },
        {
          "type": "R(pim)",
          "value": 0.2408
        },
        {
          "type": "I/SigI",
          "value": 3.64
        },
        {
          "type": "Completeness",
          "value": 99.03
        },
        {
          "type": "Redundancy",
          "value": 39.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.891
        }
      ]
    }
  ]

}
  

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


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