Data quality metrics extracted from 8e6i.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": "6c39819f4017f3156e12196ddc139c14",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 58.673,
    "b": 71.350,
    "c": 98.593,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.320,2.520],
    "number_observations": 144823,
    "number_observations_unique": 14581,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.269
      },
      {
        "type": "R(meas)",
        "value": 0.284
      },
      {
        "type": "R(pim)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 7.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 9.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.620,2.520],
      "number_observations": 16773,
      "number_observations_unique": 1613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.186
        },
        {
          "type": "R(meas)",
          "value": 3.353
        },
        {
          "type": "R(pim)",
          "value": 1.035
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 10.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.391
        }
      ]
    },
    {
      "resolution_limits": [45.320,9.090],
      "number_observations": 3234,
      "number_observations_unique": 365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "R(pim)",
          "value": 0.015
        },
        {
          "type": "I/SigI",
          "value": 34.200
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 8.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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