Data quality metrics extracted from 7cgz.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": "4e8608d29ccdd8aabb11a3ebcfe058e4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 160.622,
    "b": 44.640,
    "c": 99.885,
    "alpha": 90.000,
    "beta": 100.096,
    "gamma": 90.000
  },
  "wavelengths": [0.97700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.94],
    "number_observations_unique": 50863,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 25.87
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 6.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.94],
      "number_observations_unique": 2210,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.223
        },
        {
          "type": "I/SigI",
          "value": 2.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.914
        }
      ]
    }
  ]

}
  

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


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