Data quality metrics extracted from 7d9e.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": "79d99d03d451fac0e9e3811dd196c45d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.17,
    "b": 99.16,
    "c": 53.99,
    "alpha": 90.000,
    "beta": 102.596,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.530,1.500],
    "number_observations_unique": 80575,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05900
      },
      {
        "type": "I/SigI",
        "value": 13.9000
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 2.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.50],
      "number_observations_unique": 6340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58800
        }
      ]
    }
  ]

}
  

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


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