Data quality metrics extracted from 5sck.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": "39b35c5a6cc18d84b5ab4c3aa2006e52",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 207.547,
    "b": 112.035,
    "c": 188.179,
    "alpha": 90.00,
    "beta": 91.21,
    "gamma": 90.00
  },
  "wavelengths": [0.91190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [188.137,1.717],
    "number_observations": 1907492,
    "number_observations_unique": 326725,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 11.7
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.880,1.717],
      "number_observations": 93709,
      "number_observations_unique": 16337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.979
        },
        {
          "type": "R(pim)",
          "value": 0.444
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.667
        }
      ]
    },
    {
      "resolution_limits": [188.137,5.255],
      "number_observations": 90580,
      "number_observations_unique": 16335,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 32.2
        },
        {
          "type": "Redundancy",
          "value": 5.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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