Data quality metrics extracted from 4un8.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": "132546cde0699c3feb7bd48a2dd192cb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 107.186,
    "b": 70.851,
    "c": 107.232,
    "alpha": 90.00,
    "beta": 119.55,
    "gamma": 90.00
  },
  "wavelengths": [1.65000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.64,2.60],
    "number_observations_unique": 42078,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 15.40
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 4.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.65
        },
        {
          "type": "I/SigI",
          "value": 2.40
        },
        {
          "type": "Completeness",
          "value": 95.6
        },
        {
          "type": "Redundancy",
          "value": 4.9
        }
      ]
    }
  ]

}
  

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


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