Data quality metrics extracted from 7tqb.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": "96cca8bc12a132feb978de0d0e75222b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.426,
    "b": 158.884,
    "c": 43.142,
    "alpha": 90.00,
    "beta": 105.15,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.5,3.02],
    "number_observations_unique": 9509,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.78
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 12.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.841
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.13,3.02],
      "number_observations_unique": 925,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.55
        },
        {
          "type": "CC(1/2)",
          "value": 0.393
        }
      ]
    }
  ]

}
  

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


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