Data quality metrics extracted from 1i4k.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": "3f7e6b203da6680ae5bad90e778d0d35",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 110.397,
    "b": 64.563,
    "c": 129.862,
    "alpha": 90.00,
    "beta": 92.09,
    "gamma": 90.00
  },
  "wavelengths": [0.84200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.5],
    "number_observations_unique": 63291,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0720000
      },
      {
        "type": "I/SigI",
        "value": 14.1
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 4.04
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.6,2.5],
      "number_observations_unique": 6999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3530000
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 3.34
        }
      ]
    }
  ]

}
  

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


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