Data quality metrics extracted from 5w3x.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": "d9808caf40d84b41c7902fe3c829250f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.539,
    "b": 87.542,
    "c": 87.548,
    "alpha": 71.54,
    "beta": 84.04,
    "gamma": 84.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [82.81,1.91],
    "number_observations_unique": 80778,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.077
      },
      {
        "type": "I/SigI",
        "value": 11.4
      },
      {
        "type": "Completeness",
        "value": 91.8
      },
      {
        "type": "Redundancy",
        "value": 2.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.94,1.91],
      "number_observations_unique": 90528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.641
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 63.7
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    }
  ]

}
  

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


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