Data quality metrics extracted from 7sa7.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": "92f88de40f0961bbd3095a7640372fb5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 143.882,
    "b": 153.881,
    "c": 85.472,
    "alpha": 90.00,
    "beta": 91.05,
    "gamma": 90.00
  },
  "wavelengths": [0.99982],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.78,3.2],
    "number_observations_unique": 30660,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3225
      },
      {
        "type": "I/SigI",
        "value": 7.47
      },
      {
        "type": "Completeness",
        "value": 99.67
      },
      {
        "type": "Redundancy",
        "value": 8.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.314,3.2],
      "number_observations_unique": 3029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.097
        },
        {
          "type": "CC(1/2)",
          "value": 0.8417
        }
      ]
    }
  ]

}
  

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


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