Data quality metrics extracted from 5hra.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": "35f61eb4bee5c3e8bc8404f36bdfb1de",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.938,
    "b": 48.248,
    "c": 116.289,
    "alpha": 90.00,
    "beta": 92.92,
    "gamma": 90.00
  },
  "wavelengths": [0.98900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.610,1.597],
    "number_observations_unique": 66927,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.12
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 2.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.654,1.597],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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