Data quality metrics extracted from 8ssr.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": "fcc4b40b0fc60c6f6a793e2b39fde380",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 362.211,
    "b": 68.090,
    "c": 61.988,
    "alpha": 90.00,
    "beta": 94.87,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.59,3.14],
    "number_observations_unique": 46861,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 10.9
      },
      {
        "type": "Completeness",
        "value": 95.7
      },
      {
        "type": "Redundancy",
        "value": 15.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.940
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.26,3.14],
      "number_observations_unique": 3269,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.338
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 73.6
        },
        {
          "type": "Redundancy",
          "value": 7.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    }
  ]

}
  

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


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