Data quality metrics extracted from 5qqt.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": "13f8edb0b6ffbee2797d6beffa47bf5b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 125.990,
    "b": 108.633,
    "c": 75.808,
    "alpha": 90.00,
    "beta": 109.38,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.513,1.674],
    "number_observations": 235632,
    "number_observations_unique": 68893,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "R(pim)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 6.800
      },
      {
        "type": "Completeness",
        "value": 93.900
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.895,1.674],
      "number_observations": 10872,
      "number_observations_unique": 3446,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.909
        },
        {
          "type": "R(pim)",
          "value": 0.493
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 68.000
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.590
        }
      ]
    },
    {
      "resolution_limits": [71.513,5.362],
      "number_observations": 11661,
      "number_observations_unique": 3443,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.074
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 17.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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