Data quality metrics extracted from 8cp8.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": "6490bd5480bc6f9a8488cca5d9d86a7a",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 73.257,
    "b": 73.257,
    "c": 117.609,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95115],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [117.609,1.68],
    "number_observations_unique": 42074,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.276
      },
      {
        "type": "R(meas)",
        "value": 0.284
      },
      {
        "type": "R(pim)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 18.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.713,1.684],
      "number_observations_unique": 2098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.890
        },
        {
          "type": "R(meas)",
          "value": 4.7
        },
        {
          "type": "R(pim)",
          "value": 0.952
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 17.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.701
        }
      ]
    }
  ]

}
  

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


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