Data quality metrics extracted from 3rie.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": "67116b463e89312eae5ef4f5b01f17fb",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 196.80,
    "b": 134.59,
    "c": 48.46,
    "alpha": 90.00,
    "beta": 94.55,
    "gamma": 90.00
  },
  "wavelengths": [1.04000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.900],
    "number_observations_unique": 98147,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09600
      },
      {
        "type": "I/SigI",
        "value": 18.4700
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 4.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.52200
        },
        {
          "type": "I/SigI",
          "value": 3.920
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.20
        }
      ]
    }
  ]

}
  

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


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