Data quality metrics extracted from 5rgu.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": "399178016ed6823a6ae35a34ae7a3c15",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.358,
    "b": 52.888,
    "c": 44.751,
    "alpha": 90.00,
    "beta": 102.85,
    "gamma": 90.00
  },
  "wavelengths": [0.91300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.630,2.110],
    "number_observations": 49297,
    "number_observations_unique": 14888,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "R(meas)",
        "value": 0.166
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 5.800
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 3.300
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.220,2.110],
      "number_observations": 6885,
      "number_observations_unique": 2186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.076
        },
        {
          "type": "R(meas)",
          "value": 1.291
        },
        {
          "type": "R(pim)",
          "value": 0.708
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.437
        }
      ]
    },
    {
      "resolution_limits": [47.630,6.670],
      "number_observations": 1543,
      "number_observations_unique": 501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 16.300
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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


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