Data quality metrics extracted from 7d6i.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": "d4ddaf94e0776e756d783b3628a52b2e",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 150.605,
    "b": 150.605,
    "c": 121.320,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97919],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.30,3.41],
    "number_observations_unique": 15877,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.6
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 36.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.62,3.41],
      "number_observations_unique": 800,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.733
        }
      ]
    }
  ]

}
  

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


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