Data quality metrics extracted from 6obn.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": "eeb73a4b48b0bf8eadd1f45dc49c1539",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 94.147,
    "b": 94.147,
    "c": 545.819,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.87,2.70],
    "number_observations_unique": 40847,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.203
      },
      {
        "type": "I/SigI",
        "value": 9.0
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 8.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.81,2.70],
      "number_observations_unique": 4336,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.623
        },
        {
          "type": "CC(1/2)",
          "value": 0.652
        }
      ]
    }
  ]

}
  

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


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