Data quality metrics extracted from 5rkf.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": "41dddd182acc147dc852a3768e7254cf",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 82.065,
    "b": 27.276,
    "c": 55.715,
    "alpha": 90.00,
    "beta": 100.08,
    "gamma": 90.00
  },
  "wavelengths": [0.97622],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.399,1.281],
    "number_observations": 141779,
    "number_observations_unique": 23361,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.038
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 21.200
      },
      {
        "type": "Completeness",
        "value": 90.000
      },
      {
        "type": "Redundancy",
        "value": 6.100
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.401,1.281],
      "number_observations": 3624,
      "number_observations_unique": 1168,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.549
        },
        {
          "type": "R(pim)",
          "value": 0.300
        },
        {
          "type": "I/SigI",
          "value": 2.100
        },
        {
          "type": "Completeness",
          "value": 47.000
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    },
    {
      "resolution_limits": [40.399,3.928],
      "number_observations": 7301,
      "number_observations_unique": 1167,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "I/SigI",
          "value": 69.200
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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