Data quality metrics extracted from 5dri.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": "1a18f405c2d9e68d1f0aa58730e90e9e",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 79.296,
    "b": 79.296,
    "c": 224.981,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.91,2.80],
    "number_observations_unique": 17325,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0437
      },
      {
        "type": "I/SigI",
        "value": 20.02
      },
      {
        "type": "Completeness",
        "value": 93.5
      },
      {
        "type": "Redundancy",
        "value": 12.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.80],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2485
        },
        {
          "type": "I/SigI",
          "value": 4.58
        },
        {
          "type": "Completeness",
          "value": 99.1
        },
        {
          "type": "Redundancy",
          "value": 14.0
        }
      ]
    }
  ]

}
  

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


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