Data quality metrics extracted from 5qpy.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": "1fe031a4b7aab750fd8630d46178b031",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 57.824,
    "b": 57.824,
    "c": 395.675,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [197.840,1.670],
    "number_observations": 852447,
    "number_observations_unique": 47553,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.180
      },
      {
        "type": "R(meas)",
        "value": 0.186
      },
      {
        "type": "R(pim)",
        "value": 0.044
      },
      {
        "type": "I/SigI",
        "value": 10.500
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 17.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.710,1.670],
      "number_observations": 52843,
      "number_observations_unique": 3406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.838
        },
        {
          "type": "R(meas)",
          "value": 2.934
        },
        {
          "type": "R(pim)",
          "value": 0.738
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.654
        }
      ]
    },
    {
      "resolution_limits": [197.840,7.470],
      "number_observations": 10381,
      "number_observations_unique": 730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "I/SigI",
          "value": 32.800
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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