Data quality metrics extracted from 6xtd.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": "ef6785b1fa7bc075ccd58ba815e62670",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.655,
    "b": 44.108,
    "c": 46.807,
    "alpha": 101.202,
    "beta": 96.126,
    "gamma": 114.149
  },
  "wavelengths": [0.91500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.418,1.3],
    "number_observations_unique": 65672,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 15.7
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 10.2
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.32,1.3],
      "number_observations_unique": 3188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.222
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 93.9
        },
        {
          "type": "Redundancy",
          "value": 10.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    }
  ]

}
  

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


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