Data quality metrics extracted from 5qpp.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": "95f0a29d6d04200f3fac821c41c0e76c",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 57.992,
    "b": 57.992,
    "c": 395.770,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [197.910,1.480],
    "number_observations": 1115782,
    "number_observations_unique": 67934,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.222
      },
      {
        "type": "R(meas)",
        "value": 0.229
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 16.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.520,1.480],
      "number_observations": 56028,
      "number_observations_unique": 4884,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.035
        },
        {
          "type": "R(meas)",
          "value": 2.132
        },
        {
          "type": "R(pim)",
          "value": 0.627
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.536
        }
      ]
    },
    {
      "resolution_limits": [197.910,6.620],
      "number_observations": 14414,
      "number_observations_unique": 1009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.208
        },
        {
          "type": "R(pim)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 14.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    }
  ]

}
  

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


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