Data quality metrics extracted from 9qcz.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": "4f48f92bf75718a8e2f7cb70813e69e5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 77.887,
    "b": 91.507,
    "c": 114.338,
    "alpha": 90.00,
    "beta": 97.08,
    "gamma": 90.00
  },
  "wavelengths": [0.97700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.51,1.60],
    "number_observations_unique": 207205,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.114
      },
      {
        "type": "I/SigI",
        "value": 7.98
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.70,1.60],
      "number_observations_unique": 32544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.787
        },
        {
          "type": "R(meas)",
          "value": 0.952
        },
        {
          "type": "I/SigI",
          "value": 1.44
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    }
  ]

}
  

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


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