Data quality metrics extracted from 5qqz.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": "dd79b572b9bc99843197531d69739732",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 125.868,
    "b": 108.524,
    "c": 75.776,
    "alpha": 90.00,
    "beta": 109.22,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.555,1.553],
    "number_observations": 310857,
    "number_observations_unique": 91602,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.070
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 11.300
      },
      {
        "type": "Completeness",
        "value": 95.200
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.736,1.553],
      "number_observations": 13254,
      "number_observations_unique": 4581,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.758
        },
        {
          "type": "R(pim)",
          "value": 0.440
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 73.700
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.637
        }
      ]
    },
    {
      "resolution_limits": [71.555,4.865],
      "number_observations": 15633,
      "number_observations_unique": 4578,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "R(pim)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 35.300
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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