Data quality metrics extracted from 9dtz.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d2a5af5a3c64c48646ef8d71ec1d91f4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.534,
    "b": 98.971,
    "c": 58.825,
    "alpha": 90.000,
    "beta": 106.596,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.93,2.2],
    "number_observations_unique": 30464,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.69
      },
      {
        "type": "Completeness",
        "value": 99.67
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 3025,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.74
        },
        {
          "type": "CC(1/2)",
          "value": 0.839
        }
      ]
    }
  ]

}
  

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


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