Data quality metrics extracted from 8gj7.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": "460242fe4f69430d9a5d9bb1796984b9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 8.771,
    "b": 16.625,
    "c": 50.498,
    "alpha": 90.010,
    "beta": 89.675,
    "gamma": 90.006
  },
  "wavelengths": [0.61992],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.25,1.19],
    "number_observations_unique": 15970,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06451
      },
      {
        "type": "I/SigI",
        "value": 12.15
      },
      {
        "type": "Completeness",
        "value": 90.60
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.233,1.19],
      "number_observations_unique": 868,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1497
        }
      ]
    }
  ]

}
  

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


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