Data quality metrics extracted from 4phg.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": "66bfa9b3f238bf0688f8bce90b21e37f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.97,
    "b": 53.16,
    "c": 46.91,
    "alpha": 90.00,
    "beta": 106.35,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.01,1.9],
    "number_observations_unique": 12310,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 11.15
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.33
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.0,1.9],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.362
        }
      ]
    }
  ]

}
  

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


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