Data quality metrics extracted from 7b6o.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": "5274eb23f79b10153f53e0ebe2c6a549",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 58.89,
    "b": 59.31,
    "c": 74.60,
    "alpha": 97.08,
    "beta": 91.52,
    "gamma": 104.67
  },
  "wavelengths": [0.97628],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.93,1.86],
    "number_observations_unique": 79232,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.4
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.86],
      "number_observations_unique": 5822,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.339
        }
      ]
    }
  ]

}
  

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


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