Data quality metrics extracted from 9f8e.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": "5f3e34f174368fa684d7d423c0cb851b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.612,
    "b": 73.374,
    "c": 90.799,
    "alpha": 91.64,
    "beta": 95.74,
    "gamma": 96.11
  },
  "wavelengths": [0.70846],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.08,3.10],
    "number_observations_unique": 21675,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.43
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.407
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.21,3.10],
      "number_observations_unique": 2166,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 93.2
        },
        {
          "type": "Redundancy",
          "value": 6.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.159
        }
      ]
    }
  ]

}
  

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


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