Data quality metrics extracted from 9i5b.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": "d7161e5404772e70af4a7095a0b230ca",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.650,
    "b": 74.968,
    "c": 81.368,
    "alpha": 75.235,
    "beta": 73.124,
    "gamma": 80.112
  },
  "wavelengths": [0.72930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.670,2.52],
    "number_observations_unique": 41874,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.58,2.52],
      "number_observations_unique": 3056,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.645
        }
      ]
    }
  ]

}
  

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


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