Data quality metrics extracted from 5rfo.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": "c58528d5411301da5a8b438c36ad3383",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.986,
    "b": 52.546,
    "c": 44.593,
    "alpha": 90.00,
    "beta": 103.15,
    "gamma": 90.00
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.530,1.830],
    "number_observations": 81404,
    "number_observations_unique": 22402,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.235
      },
      {
        "type": "R(meas)",
        "value": 0.276
      },
      {
        "type": "R(pim)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 3.400
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.870,1.830],
      "number_observations": 5169,
      "number_observations_unique": 1382,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.703
        },
        {
          "type": "R(meas)",
          "value": 1.982
        },
        {
          "type": "R(pim)",
          "value": 1.000
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.300
        }
      ]
    },
    {
      "resolution_limits": [54.530,8.970],
      "number_observations": 775,
      "number_observations_unique": 207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 10.900
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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