Data quality metrics extracted from 8j8e.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": "37e5c860d1caf7a3853550a820c73c8c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.356,
    "b": 92.706,
    "c": 95.345,
    "alpha": 74.89,
    "beta": 89.73,
    "gamma": 79.88
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.96,2.50],
    "number_observations_unique": 42319,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.177
      },
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.56,2.50],
      "number_observations_unique": 3143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "Redundancy",
          "value": 3.5
        }
      ]
    }
  ]

}
  

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


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