Data quality metrics extracted from 5re5.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": "044b1a3373b9b19095232522db296267",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.53,
    "b": 52.81,
    "c": 44.52,
    "alpha": 90.00,
    "beta": 102.15,
    "gamma": 90.00
  },
  "wavelengths": [0.91260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.000,2.070],
    "number_observations": 58015,
    "number_observations_unique": 15701,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.259
      },
      {
        "type": "R(meas)",
        "value": 0.302
      },
      {
        "type": "R(pim)",
        "value": 0.153
      },
      {
        "type": "I/SigI",
        "value": 4.100
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 3.700
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.120,2.070],
      "number_observations": 4109,
      "number_observations_unique": 1152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.850
        },
        {
          "type": "R(meas)",
          "value": 2.173
        },
        {
          "type": "R(pim)",
          "value": 1.125
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.305
        }
      ]
    },
    {
      "resolution_limits": [55.000,9.260],
      "number_observations": 705,
      "number_observations_unique": 190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "R(meas)",
          "value": 0.100
        },
        {
          "type": "R(pim)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 15.000
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    }
  ]

}
  

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


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