Data quality metrics extracted from 8ro6.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": "4236c2b7cbc6c0c6ed636bbc8d125144",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 187.93,
    "b": 64.72,
    "c": 47.34,
    "alpha": 90.00,
    "beta": 103.07,
    "gamma": 90.00
  },
  "wavelengths": [2.07505],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.,2.2],
    "number_observations_unique": 27871,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 12.08
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 4.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.2],
      "number_observations_unique": 3967,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.196
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "Completeness",
          "value": 87.3
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.513
        }
      ]
    }
  ]

}
  

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


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