Data quality metrics extracted from 4utw.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": "b11f5f20faee316e6fa4be4e70242473",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.756,
    "b": 75.584,
    "c": 82.173,
    "alpha": 89.90,
    "beta": 89.91,
    "gamma": 92.92
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.10,1.90],
    "number_observations_unique": 63357,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 10.00
      },
      {
        "type": "Completeness",
        "value": 91.0
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.90],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42
        },
        {
          "type": "I/SigI",
          "value": 1.50
        },
        {
          "type": "Completeness",
          "value": 85.9
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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