Data quality metrics extracted from 7scr.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": "2cf4fb9834b9ef60e3aff0c19f18471b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 61.253,
    "b": 107.298,
    "c": 117.165,
    "alpha": 90.000,
    "beta": 96.759,
    "gamma": 90.000
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.41,2.11],
    "number_observations_unique": 83246,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 96.9
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.97
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.12],
      "number_observations_unique": 9413,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 80.2
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.75
        }
      ]
    }
  ]

}
  

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


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