Data quality metrics extracted from 2buj.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": "3c81dd77eb5e802e0bf3151b13a1faab",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 104.554,
    "b": 168.901,
    "c": 129.729,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.800,2.600],
    "number_observations_unique": 35446,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07000
      },
      {
        "type": "I/SigI",
        "value": 13.5200
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 7.830
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.70,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.59000
        },
        {
          "type": "I/SigI",
          "value": 2.290
        },
        {
          "type": "Completeness",
          "value": 94.3
        },
        {
          "type": "Redundancy",
          "value": 5.12
        }
      ]
    }
  ]

}
  

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


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