Data quality metrics extracted from 7qd0.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": "3d1e805ccb5a355ae46425e9d9509e0f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 81.40,
    "b": 64.87,
    "c": 61.69,
    "alpha": 90.000,
    "beta": 117.911,
    "gamma": 90.000
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.44,1.7],
    "number_observations_unique": 30918,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 13.78
      },
      {
        "type": "Completeness",
        "value": 98.61
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.7],
      "number_observations_unique": 3107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7233
        },
        {
          "type": "R(meas)",
          "value": 0.7233
        },
        {
          "type": "R(pim)",
          "value": 0.3882
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "Completeness",
          "value": 99.42
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    }
  ]

}
  

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


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