Data quality metrics extracted from 1en3.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": "8fd563f76c73cccf2f4161034bfe97d1",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 32.001,
    "b": 25.369,
    "c": 33.633,
    "alpha": 90.00,
    "beta": 112.98,
    "gamma": 90.00
  },
  "wavelengths": [0.95000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [8.0,0.985],
    "number_observations_unique": 13464,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0470000
      },
      {
        "type": "I/SigI",
        "value": 21.6
      },
      {
        "type": "Completeness",
        "value": 95.0
      },
      {
        "type": "Redundancy",
        "value": 5.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.016,0.985],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1230000
        },
        {
          "type": "I/SigI",
          "value": 7.4
        },
        {
          "type": "Completeness",
          "value": 90.7
        }
      ]
    }
  ]

}
  

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


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