Data quality metrics extracted from 5qr4.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": "74ae3e00300ecaf193f200991abe17f9",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 127.359,
    "b": 108.967,
    "c": 76.099,
    "alpha": 90.00,
    "beta": 109.32,
    "gamma": 90.00
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.094,1.572],
    "number_observations": 331877,
    "number_observations_unique": 97789,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.048
      },
      {
        "type": "R(pim)",
        "value": 0.025
      },
      {
        "type": "I/SigI",
        "value": 14.300
      },
      {
        "type": "Completeness",
        "value": 95.100
      },
      {
        "type": "Redundancy",
        "value": 3.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.696,1.572],
      "number_observations": 15062,
      "number_observations_unique": 4889,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.778
        },
        {
          "type": "R(pim)",
          "value": 0.433
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 72.200
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.662
        }
      ]
    },
    {
      "resolution_limits": [60.094,4.794],
      "number_observations": 16791,
      "number_observations_unique": 4888,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "R(pim)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 45.600
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "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):