Data quality metrics extracted from 4csh.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": "441ea678324c62bb51ac2cd009169b36",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.22,
    "b": 61.47,
    "c": 73.13,
    "alpha": 91.49,
    "beta": 98.62,
    "gamma": 89.99
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.53,1.79],
    "number_observations_unique": 62028,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 6.30
      },
      {
        "type": "Completeness",
        "value": 97.2
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.79],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.25
        },
        {
          "type": "I/SigI",
          "value": 2.90
        },
        {
          "type": "Completeness",
          "value": 94.3
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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