Data quality metrics extracted from 7ttz.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": "fc9a61b6657982c13caf4a5a4d7835f3",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 135.505,
    "b": 165.447,
    "c": 46.434,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.56,2.35],
    "number_observations_unique": 48763,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.35],
      "number_observations_unique": 3864,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.508
        },
        {
          "type": "I/SigI",
          "value": 2.15
        },
        {
          "type": "CC(1/2)",
          "value": 0.639
        }
      ]
    }
  ]

}
  

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


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