Data quality metrics extracted from 7rbz.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": "40d8e679315e45909a67fa9f7c42a342",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 96.495,
    "b": 82.137,
    "c": 54.384,
    "alpha": 90.000,
    "beta": 116.908,
    "gamma": 90.000
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.71,1.649],
    "number_observations_unique": 45449,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07787
      },
      {
        "type": "R(meas)",
        "value": 0.08759
      },
      {
        "type": "R(pim)",
        "value": 0.03933
      },
      {
        "type": "I/SigI",
        "value": 16.18
      },
      {
        "type": "Completeness",
        "value": 99.79
      },
      {
        "type": "Redundancy",
        "value": 4.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.798,1.649],
      "number_observations_unique": 4502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5886
        },
        {
          "type": "R(meas)",
          "value": 0.6578
        },
        {
          "type": "R(pim)",
          "value": 0.2891
        },
        {
          "type": "I/SigI",
          "value": 2.42
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.86
        }
      ]
    }
  ]

}
  

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


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