Data quality metrics extracted from 7cse.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": "33e2f0042cbddbc7a26b2f2292d14eda",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 211.584,
    "b": 129.486,
    "c": 106.320,
    "alpha": 90.000,
    "beta": 90.758,
    "gamma": 90.000
  },
  "wavelengths": [0.97980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.752,2.44],
    "number_observations_unique": 106057,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "I/SigI",
        "value": 22.6
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 7.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.53,2.44],
      "number_observations_unique": 10355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.082
        }
      ]
    }
  ]

}
  

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


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