Data quality metrics extracted from 8fa5.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": "694c8a0391533d45920877e933943da9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.865,
    "b": 84.768,
    "c": 99.811,
    "alpha": 90.00,
    "beta": 96.61,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.8,1.7],
    "number_observations_unique": 283540,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.7
      },
      {
        "type": "Completeness",
        "value": 97.6
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.7],
      "number_observations_unique": 27563,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.61
        }
      ]
    }
  ]

}
  

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


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