Data quality metrics extracted from 13ci.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "341e4d3fb508642ed3c4e704ce30d138",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 37.917,
    "b": 9.182,
    "c": 41.467,
    "alpha": 90.00,
    "beta": 102.58,
    "gamma": 90.00
  },
  "wavelengths": [0.68880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.59,0.84],
    "number_observations_unique": 12915,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.50
      },
      {
        "type": "Completeness",
        "value": 97.09
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.8701,0.84],
      "number_observations_unique": 1149,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    }
  ]

}
  

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


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