Data quality metrics extracted from 5ppr.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": "f639d7b81ca3a51697aad29417d81021",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 55.734,
    "b": 56.316,
    "c": 102.505,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.210,2.690],
    "number_observations": 60930,
    "number_observations_unique": 9350,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1386
      },
      {
        "type": "R(meas)",
        "value": 1.510
      },
      {
        "type": "R(pim)",
        "value": 0.589
      },
      {
        "type": "I/SigI",
        "value": 1.700
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 6.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.420
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.760,2.690],
      "number_observations": 3804,
      "number_observations_unique": 623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.919
        },
        {
          "type": "R(meas)",
          "value": 1.004
        },
        {
          "type": "R(pim)",
          "value": 0.396
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 92.100
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.507
        }
      ]
    },
    {
      "resolution_limits": [29.210,12.040],
      "number_observations": 735,
      "number_observations_unique": 131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.872
        },
        {
          "type": "R(meas)",
          "value": 2.037
        },
        {
          "type": "R(pim)",
          "value": 0.788
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 94.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.790
        }
      ]
    }
  ]

}
  

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


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