Data quality metrics extracted from 5sc9.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": "768348c18725b99ce86c120a61c39f1e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 208.273,
    "b": 112.676,
    "c": 187.899,
    "alpha": 90.00,
    "beta": 91.34,
    "gamma": 90.00
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [187.848,1.693],
    "number_observations": 2937017,
    "number_observations_unique": 426322,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "R(pim)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 9.8
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.777,1.693],
      "number_observations": 161920,
      "number_observations_unique": 21315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.790
        },
        {
          "type": "R(pim)",
          "value": 0.695
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Redundancy",
          "value": 7.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.307
        }
      ]
    },
    {
      "resolution_limits": [187.848,4.814],
      "number_observations": 136237,
      "number_observations_unique": 21316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 23.4
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    }
  ]

}
  

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


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