Data quality metrics extracted from 9d96.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": "3045d6b2f315f5e09e9fc8a19d7cbe18",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.346,
    "b": 60.588,
    "c": 63.288,
    "alpha": 95.06,
    "beta": 95.61,
    "gamma": 106.37
  },
  "wavelengths": [0.95364],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.97,2.4],
    "number_observations_unique": 25635,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.13
      },
      {
        "type": "Completeness",
        "value": 97.75
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 2545,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.597
        }
      ]
    }
  ]

}
  

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


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