Data quality metrics extracted from 7f86.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": "b7fcd2714ff013e9f9f33825d7635a62",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 108.59,
    "b": 108.63,
    "c": 116.93,
    "alpha": 78.37,
    "beta": 82.53,
    "gamma": 62.11
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.17,2.21],
    "number_observations_unique": 225119,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.6
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.21],
      "number_observations_unique": 11005,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    }
  ]

}
  

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


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