Data quality metrics extracted from 8cjl.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": "fc7a240b266aff84473f00dd88b1f8fd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 47.09,
    "b": 58.09,
    "c": 65.29,
    "alpha": 90.00,
    "beta": 103.57,
    "gamma": 90.00
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.78,1.83],
    "number_observations_unique": 30237,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.84
      },
      {
        "type": "Completeness",
        "value": 99.52
      },
      {
        "type": "Redundancy",
        "value": 4
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.895,1.83],
      "number_observations_unique": 2967,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.394
        }
      ]
    }
  ]

}
  

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


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