Data quality metrics extracted from 9bca.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": "955e07614c0eee927853873ce3158b36",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.528,
    "b": 87.933,
    "c": 89.241,
    "alpha": 90.00,
    "beta": 104.44,
    "gamma": 90.00
  },
  "wavelengths": [0.92010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.7],
    "number_observations_unique": 72950,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.55
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations_unique": 7280,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.873
        }
      ]
    }
  ]

}
  

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


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