Data quality metrics extracted from 6rwh.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": "f46701e6abd119e19c3ea7ddb15bf26e",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 81.642,
    "b": 112.176,
    "c": 63.089,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.09,1.68],
    "number_observations_unique": 31425,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "R(meas)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 94.1
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.77,1.68],
      "number_observations_unique": 3270,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.920
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 67.5
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.719
        }
      ]
    }
  ]

}
  

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


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