Data quality metrics extracted from 4k23.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": "b0395e98ca2b1f8f3b3399c605ee8548",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.313,
    "b": 132.296,
    "c": 46.831,
    "alpha": 90.00,
    "beta": 106.73,
    "gamma": 90.00
  },
  "wavelengths": [1.04000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.080,1.600],
    "number_observations_unique": 49312,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09400
      },
      {
        "type": "I/SigI",
        "value": 9.4000
      },
      {
        "type": "Completeness",
        "value": 85.7
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.66,1.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29000
        },
        {
          "type": "Completeness",
          "value": 70.0
        },
        {
          "type": "Redundancy",
          "value": 2.60
        }
      ]
    }
  ]

}
  

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


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