Data quality metrics extracted from 9top.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": "2bab4584f52985ce2340cd7529f0f234",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.175,
    "b": 45.798,
    "c": 118.622,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99990],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.32,1.80],
    "number_observations_unique": 23430,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.179
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 13.45
      },
      {
        "type": "CC(1/2)",
        "value": 0.865
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8310,1.8],
      "number_observations_unique": 1147,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.842
        },
        {
          "type": "Completeness",
          "value": 98.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.285
        }
      ]
    }
  ]

}
  

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


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