Data quality metrics extracted from 7qkb.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": "9f7f9245d52d4c191bcd409817db03f7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.29,
    "b": 62.45,
    "c": 67.82,
    "alpha": 105.306,
    "beta": 93.523,
    "gamma": 115.929
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.25,1.8],
    "number_observations_unique": 67386,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1346
      },
      {
        "type": "R(meas)",
        "value": 0.1476
      },
      {
        "type": "R(pim)",
        "value": 0.05975
      },
      {
        "type": "I/SigI",
        "value": 9.62
      },
      {
        "type": "Completeness",
        "value": 90.98
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.8],
      "number_observations_unique": 6082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9518
        },
        {
          "type": "R(meas)",
          "value": 1.115
        },
        {
          "type": "R(pim)",
          "value": 0.5693
        },
        {
          "type": "I/SigI",
          "value": 1.99
        },
        {
          "type": "Completeness",
          "value": 81.98
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.73
        }
      ]
    }
  ]

}
  

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


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