Data quality metrics extracted from 8a67.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": "7347510c13de2d0faf7bd65bbc891a94",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.081,
    "b": 58.243,
    "c": 61.662,
    "alpha": 78.88,
    "beta": 67.94,
    "gamma": 80.16
  },
  "wavelengths": [0.87313],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.58,1.86],
    "number_observations_unique": 36500,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 88.7
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,1.86],
      "number_observations_unique": 1826,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    }
  ]

}
  

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


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