Data quality metrics extracted from 27iv.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": "4c8173d5b70ab49f5f907c3d5365372b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.130,
    "b": 61.265,
    "c": 76.295,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97853],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.77,1.95],
    "number_observations_unique": 17760,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 22.3
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 12.6
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.95],
      "number_observations_unique": 1241,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.915
        }
      ]
    }
  ]

}
  

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


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