Data quality metrics extracted from 9tei.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": "e6f5d360478661430f120b29225517f4",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 71.17,
    "b": 91.41,
    "c": 45.29,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.36245],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.59,2.0],
    "number_observations_unique": 20629,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.91
      },
      {
        "type": "Completeness",
        "value": 99.99
      },
      {
        "type": "Redundancy",
        "value": 476.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.95
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.0],
      "number_observations_unique": 1455,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.57
        },
        {
          "type": "Completeness",
          "value": 99.93
        },
        {
          "type": "Redundancy",
          "value": 82.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.56
        }
      ]
    }
  ]

}
  

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


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