Data quality metrics extracted from 4ewt.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": "617eb1e1b05f046470a26852d9c0b595",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.62,
    "b": 120.11,
    "c": 132.41,
    "alpha": 115.40,
    "beta": 94.64,
    "gamma": 96.55
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.090,2.100],
    "number_observations_unique": 133741,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11100
      },
      {
        "type": "I/SigI",
        "value": 7.5000
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.40400
        },
        {
          "type": "I/SigI",
          "value": 2.900
        },
        {
          "type": "Completeness",
          "value": 88.6
        },
        {
          "type": "Redundancy",
          "value": 3.20
        }
      ]
    }
  ]

}
  

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


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