Data quality metrics extracted from 5qc4.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": "a0e52f6e6ae3afe74db6a9b2724cdd63",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.02,
    "b": 52.97,
    "c": 58.58,
    "alpha": 70.75,
    "beta": 71.79,
    "gamma": 73.21
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.000,2.100],
    "number_observations_unique": 23183,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06800
      },
      {
        "type": "I/SigI",
        "value": 16.0000
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.10],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19500
        },
        {
          "type": "I/SigI",
          "value": 5.100
        },
        {
          "type": "Completeness",
          "value": 84.6
        },
        {
          "type": "Redundancy",
          "value": 3.50
        }
      ]
    }
  ]

}
  

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


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