Data quality metrics extracted from 3d66.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": "ff72b0c06a7e2b291c05b4d7d4ed0f8e",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 161.74,
    "b": 161.74,
    "c": 139.45,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.26206],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.51,3.10],
    "number_observations_unique": 38593,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 13.9
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 8.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.27,3.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.833
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 8.7
        }
      ]
    }
  ]

}
  

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


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