Data quality metrics extracted from 4cgv.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": "9140141b93308bf1c2103d70ce727ba4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.05,
    "b": 59.12,
    "c": 65.86,
    "alpha": 63.42,
    "beta": 67.50,
    "gamma": 82.43
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.83,2.54],
    "number_observations_unique": 20092,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 8.10
      },
      {
        "type": "Completeness",
        "value": 94.0
      },
      {
        "type": "Redundancy",
        "value": 2.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.54],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.36
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 94.1
        },
        {
          "type": "Redundancy",
          "value": 2.7
        }
      ]
    }
  ]

}
  

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


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