Data quality metrics extracted from 5qrd.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": "cbeb3ad7d41e7bd64c04e52918bf43c6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 127.972,
    "b": 108.831,
    "c": 76.076,
    "alpha": 90.00,
    "beta": 109.15,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.867,1.763],
    "number_observations": 280349,
    "number_observations_unique": 80975,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.060
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 12.600
      },
      {
        "type": "Completeness",
        "value": 95.000
      },
      {
        "type": "Redundancy",
        "value": 3.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.861,1.763],
      "number_observations": 13509,
      "number_observations_unique": 4049,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.962
        },
        {
          "type": "R(pim)",
          "value": 0.524
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 68.700
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.536
        }
      ]
    },
    {
      "resolution_limits": [71.867,5.101],
      "number_observations": 13787,
      "number_observations_unique": 4047,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.032
        },
        {
          "type": "R(pim)",
          "value": 0.017
        },
        {
          "type": "I/SigI",
          "value": 35.700
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "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):