Data quality metrics extracted from 8go5.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": "742413d3be4dea265242cef73d7d0a04",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.577,
    "b": 74.467,
    "c": 87.473,
    "alpha": 99.33,
    "beta": 112.15,
    "gamma": 108.59
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.8090],
    "number_observations_unique": 33042,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.082
      },
      {
        "type": "I/SigI",
        "value": 13.91
      },
      {
        "type": "Completeness",
        "value": 96.82
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.8090],
      "number_observations_unique": 1675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.320
        },
        {
          "type": "I/SigI",
          "value": 2.41
        }
      ]
    }
  ]

}
  

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


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