Data quality metrics extracted from 8jji.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": "62a09966a5d0c7f23b87c9e3669caee5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.621,
    "b": 64.781,
    "c": 80.617,
    "alpha": 90.000,
    "beta": 98.361,
    "gamma": 90.000
  },
  "wavelengths": [0.97940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.20],
    "number_observations_unique": 22882,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.78
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 4.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 1144,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.841
        }
      ]
    }
  ]

}
  

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


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