Data quality metrics extracted from 9bez.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": "00daa0c7e33e72c6d35e74f5a1ede6de",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.549,
    "b": 46.899,
    "c": 66.209,
    "alpha": 86.005,
    "beta": 74.022,
    "gamma": 84.760
  },
  "wavelengths": [1.34200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.5,1.9],
    "number_observations_unique": 41796,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "R(meas)",
        "value": 0.068
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 7.48
      },
      {
        "type": "Completeness",
        "value": 99.04
      },
      {
        "type": "Redundancy",
        "value": 4.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.9],
      "number_observations_unique": 1612,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.247
        }
      ]
    }
  ]

}
  

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


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