Data quality metrics extracted from 6tzc.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": "032bcf8fd17c1dc0e756fa75f6ebcf84",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.565,
    "b": 44.347,
    "c": 129.022,
    "alpha": 90.000,
    "beta": 94.532,
    "gamma": 90.000
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.59,2.41],
    "number_observations_unique": 24021,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 4.6
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.98
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.47,2.41],
      "number_observations_unique": 2373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.52
        },
        {
          "type": "I/SigI",
          "value": 1.40
        },
        {
          "type": "Completeness",
          "value": 99.70
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.48
        }
      ]
    }
  ]

}
  

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


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