Data quality metrics extracted from 8xi1.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": "98cb6ad12b1a7126206d64b295c8f776",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 83.441,
    "b": 89.048,
    "c": 88.989,
    "alpha": 98.884,
    "beta": 110.547,
    "gamma": 110.674
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.76,1.37],
    "number_observations_unique": 418204,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.99
      },
      {
        "type": "Completeness",
        "value": 93.49
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.419,1.37],
      "number_observations_unique": 41686,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.21
        },
        {
          "type": "CC(1/2)",
          "value": 0.558
        }
      ]
    }
  ]

}
  

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


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