Data quality metrics extracted from 4guv.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": "2238708a2b10462719ca45aa809e4459",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.71,
    "b": 80.14,
    "c": 87.50,
    "alpha": 111.04,
    "beta": 90.06,
    "gamma": 93.29
  },
  "wavelengths": [1.50000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.73],
    "number_observations_unique": 41035,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.14
      },
      {
        "type": "I/SigI",
        "value": 11.79
      },
      {
        "type": "Redundancy",
        "value": 3.43
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.73],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.89
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "Redundancy",
          "value": 1.83
        }
      ]
    }
  ]

}
  

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


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