Data quality metrics extracted from 5pyi.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": "386bc1417e6d8233f579b17ac4021487",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 127.67,
    "b": 45.54,
    "c": 83.60,
    "alpha": 90.00,
    "beta": 101.87,
    "gamma": 90.00
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.060,2.290],
    "number_observations": 59275,
    "number_observations_unique": 19266,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.288
      },
      {
        "type": "R(meas)",
        "value": 0.354
      },
      {
        "type": "R(pim)",
        "value": 0.203
      },
      {
        "type": "I/SigI",
        "value": 7.000
      },
      {
        "type": "Completeness",
        "value": 90.200
      },
      {
        "type": "Redundancy",
        "value": 3.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.887
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.350,2.290],
      "number_observations": 3412,
      "number_observations_unique": 1221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.628
        },
        {
          "type": "R(meas)",
          "value": 2.010
        },
        {
          "type": "R(pim)",
          "value": 1.158
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 78.300
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.774
        }
      ]
    },
    {
      "resolution_limits": [39.060,10.250],
      "number_observations": 662,
      "number_observations_unique": 225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "R(pim)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 23.600
        },
        {
          "type": "Completeness",
          "value": 81.700
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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


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