Data quality metrics extracted from 7xfr.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": "7b22d26fd27a3e31b129ea8bdd615ee6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.199,
    "b": 80.630,
    "c": 76.755,
    "alpha": 90.000,
    "beta": 97.326,
    "gamma": 90.000
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [73.59,1.76],
    "number_observations_unique": 83257,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 24.71
      },
      {
        "type": "Completeness",
        "value": 93.71
      },
      {
        "type": "Redundancy",
        "value": 6.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.76],
      "number_observations_unique": 4440,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.748
        }
      ]
    }
  ]

}
  

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


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