Data quality metrics extracted from 5r8e.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": "95a02765e15e13262b72b45b1dc7311b",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 54.457,
    "b": 54.457,
    "c": 75.473,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96871],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.460,1.350],
    "number_observations": 318160,
    "number_observations_unique": 47897,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.036
      },
      {
        "type": "R(meas)",
        "value": 0.039
      },
      {
        "type": "R(pim)",
        "value": 0.015
      },
      {
        "type": "I/SigI",
        "value": 19.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 6.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.430,1.350],
      "number_observations": 46039,
      "number_observations_unique": 6970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.925
        },
        {
          "type": "R(meas)",
          "value": 2.086
        },
        {
          "type": "R(pim)",
          "value": 0.798
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.396
        }
      ]
    },
    {
      "resolution_limits": [54.460,4.280],
      "number_observations": 9568,
      "number_observations_unique": 1562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.024
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "R(pim)",
          "value": 0.010
        },
        {
          "type": "I/SigI",
          "value": 67.000
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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