Data quality metrics extracted from 7our.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": "c03a1c899f608602e10e4cf1f8bcb84b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.320,
    "b": 56.721,
    "c": 62.641,
    "alpha": 103.53,
    "beta": 110.75,
    "gamma": 105.63
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.7,1.95],
    "number_observations_unique": 40032,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.910
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.95],
      "number_observations_unique": 2788,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.674
        }
      ]
    }
  ]

}
  

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


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