Data quality metrics extracted from 9cyd.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": "fb9ef55397c55be2fa05d22faf000161",
  "space_group_name": "P 43 3 2",
  "unit_cell": {
    "a": 156.584,
    "b": 156.584,
    "c": 156.584,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.52,2.80],
    "number_observations": 667168,
    "number_observations_unique": 16770,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.298
      },
      {
        "type": "R(meas)",
        "value": 0.302
      },
      {
        "type": "R(pim)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 12.9
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 39.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.80],
      "number_observations": 95258,
      "number_observations_unique": 2386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 5.194
        },
        {
          "type": "R(meas)",
          "value": 5.261
        },
        {
          "type": "R(pim)",
          "value": 0.828
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 39.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.585
        }
      ]
    }
  ]

}
  

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


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