Data quality metrics extracted from 8gen.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": "ea4903fa4ffb6e6a91d26932abca212d",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 180.304,
    "b": 180.304,
    "c": 133.566,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.5,2.94],
    "number_observations_unique": 25959,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1547
      },
      {
        "type": "R(meas)",
        "value": 0.1659
      },
      {
        "type": "R(pim)",
        "value": 0.05804
      },
      {
        "type": "I/SigI",
        "value": 10.83
      },
      {
        "type": "Completeness",
        "value": 93.48
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.05,2.94],
      "number_observations_unique": 2482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.874
        },
        {
          "type": "R(meas)",
          "value": 2.014
        },
        {
          "type": "R(pim)",
          "value": 0.7169
        },
        {
          "type": "I/SigI",
          "value": 1.16
        },
        {
          "type": "Completeness",
          "value": 90.81
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.361
        }
      ]
    }
  ]

}
  

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


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