Data quality metrics extracted from 1ted.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": "b25703af4f14c2e9d2af4412a4c769ee",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.914,
    "b": 80.654,
    "c": 99.612,
    "alpha": 108.23,
    "beta": 92.97,
    "gamma": 103.69
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,2.25],
    "number_observations_unique": 76912,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 9.5
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 1.74
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.36,2.25],
      "number_observations_unique": 7360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.307
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 91.2
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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