Data quality metrics extracted from 4qsl.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": "9cb71817828d866bf4d837608ee49c72",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 91.360,
    "b": 132.615,
    "c": 257.544,
    "alpha": 86.65,
    "beta": 79.84,
    "gamma": 70.07
  },
  "wavelengths": [1.07500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.300],
    "number_observations_unique": 151836,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05600
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 89.4
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.42,3.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43500
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 72.2
        },
        {
          "type": "Redundancy",
          "value": 1.7
        }
      ]
    }
  ]

}
  

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


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