Data quality metrics extracted from 7rdb.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": "63993fe9ee88b42f285e414f7ac5ea64",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 83.57,
    "b": 91.95,
    "c": 112.38,
    "alpha": 87.552,
    "beta": 86.519,
    "gamma": 86.241
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.67,2.52],
    "number_observations_unique": 111846,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1461
      },
      {
        "type": "R(meas)",
        "value": 0.1601
      },
      {
        "type": "R(pim)",
        "value": 0.06505
      },
      {
        "type": "I/SigI",
        "value": 6.85
      },
      {
        "type": "Completeness",
        "value": 99.38
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.61,2.52],
      "number_observations_unique": 11044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.29
        },
        {
          "type": "R(meas)",
          "value": 1.451
        },
        {
          "type": "R(pim)",
          "value": 0.6453
        },
        {
          "type": "I/SigI",
          "value": 1.34
        },
        {
          "type": "Completeness",
          "value": 97.51
        },
        {
          "type": "Redundancy",
          "value": 4.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.441
        }
      ]
    }
  ]

}
  

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


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