Data quality metrics extracted from 7qbh.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": "53de181bb390457fbcd4b8615c1b3c59",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.38,
    "b": 41.48,
    "c": 72.33,
    "alpha": 90.000,
    "beta": 104.531,
    "gamma": 90.000
  },
  "wavelengths": [0.97170],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.47,1.22],
    "number_observations_unique": 58986,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "R(meas)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 15.65
      },
      {
        "type": "Completeness",
        "value": 81.9
      },
      {
        "type": "Redundancy",
        "value": 5.47
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.22],
      "number_observations_unique": 1034,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "R(meas)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 2.36
        },
        {
          "type": "Redundancy",
          "value": 2.05
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    }
  ]

}
  

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


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