Data quality metrics extracted from 8tqp.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": "3055a30e6d0487538cab474805bef602",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 89.845,
    "b": 89.956,
    "c": 115.400,
    "alpha": 87.012,
    "beta": 78.394,
    "gamma": 60.335
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.143,2.9],
    "number_observations_unique": 67407,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.97,2.9],
      "number_observations_unique": 4484,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.255
        }
      ]
    }
  ]

}
  

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


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