Data quality metrics extracted from 3dhs.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": "2b642741635c1de544f6215726526204",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 147.35,
    "b": 160.01,
    "c": 133.45,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.14010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.070,3.600],
    "number_observations_unique": 18374,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 10.200
      },
      {
        "type": "Completeness",
        "value": 98.700
      },
      {
        "type": "Redundancy",
        "value": 13.640
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.73,3.60],
      "number_observations": 24484,
      "number_observations_unique": 1786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.714
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "Completeness",
          "value": 98.60
        },
        {
          "type": "Redundancy",
          "value": 13.66
        }
      ]
    }
  ]

}
  

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


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