Data quality metrics extracted from 6l9n.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": "7f1ac108a68dbda5a8c8d005289ff69a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.961,
    "b": 88.443,
    "c": 105.805,
    "alpha": 80.99,
    "beta": 75.81,
    "gamma": 88.34
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.6],
    "number_observations_unique": 53822,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.7,2.6],
      "number_observations_unique": 4798,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.431
        }
      ]
    }
  ]

}
  

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


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