Data quality metrics extracted from 5j5u.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": "c80420a3866eff444ed60d3459e820f7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 82.706,
    "b": 82.885,
    "c": 93.905,
    "alpha": 66.44,
    "beta": 78.33,
    "gamma": 67.56
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.490,2.300],
    "number_observations_unique": 181362,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.123
      },
      {
        "type": "I/SigI",
        "value": 7.88
      },
      {
        "type": "Completeness",
        "value": 97.300
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.382,2.3],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3061
        },
        {
          "type": "I/SigI",
          "value": 4.14
        },
        {
          "type": "Completeness",
          "value": 96.68
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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