Data quality metrics extracted from 7llq.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": "d19281bd03e333ae72e63b9093b82a48",
  "space_group_name": "P 32",
  "unit_cell": {
    "a": 138.054,
    "b": 138.054,
    "c": 84.257,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.19,2.85],
    "number_observations_unique": 81035,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "I/SigI",
        "value": 5.86
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 8.93
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.91,2.85],
      "number_observations_unique": 40598,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2716
        }
      ]
    }
  ]

}
  

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


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