Data quality metrics extracted from 8xin.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": "06095ec6d3e1b1f5b56e6c63dc6913d0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 76.686,
    "b": 83.533,
    "c": 61.794,
    "alpha": 90.00,
    "beta": 100.47,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.710,1.694],
    "number_observations_unique": 42220,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.32
      },
      {
        "type": "Completeness",
        "value": 99.02
      },
      {
        "type": "Redundancy",
        "value": 2.19
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.694],
      "number_observations_unique": 12901,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.83
        }
      ]
    }
  ]

}
  

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


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