Data quality metrics extracted from 5l9c.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": "fcb503ca9f45258eacb49a813b5e0f8a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.33,
    "b": 73.23,
    "c": 91.15,
    "alpha": 87.23,
    "beta": 94.17,
    "gamma": 100.52
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.40,1.78],
    "number_observations_unique": 107169,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "I/SigI",
        "value": 6.10
      },
      {
        "type": "Completeness",
        "value": 90
      },
      {
        "type": "Redundancy",
        "value": 1.83
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.83,1.78],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        }
      ]
    }
  ]

}
  

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


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