Data quality metrics extracted from 3r8u.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": "f5cf744f8c7b82491350da9fce6c3e74",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.47,
    "b": 72.00,
    "c": 72.43,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,2.00],
    "number_observations_unique": 19429,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07900
      },
      {
        "type": "I/SigI",
        "value": 19.15
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 6.91
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.00],
      "number_observations_unique": 2570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28500
        },
        {
          "type": "I/SigI",
          "value": 8.770
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 6.82
        }
      ]
    }
  ]

}
  

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


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