Data quality metrics extracted from 9bif.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": "c9fbc5b4dd992b014dab8522e78349d6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 96.737,
    "b": 97.294,
    "c": 168.343,
    "alpha": 97.60,
    "beta": 90.27,
    "gamma": 106.21
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,3.09],
    "number_observations_unique": 96279,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 90.8
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.15,3.09],
      "number_observations_unique": 9069,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.51
        }
      ]
    }
  ]

}
  

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


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