Data quality metrics extracted from 6xn8.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": "c8ea13a2a50bb1802e794dbc30d56c61",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 103.940,
    "b": 64.431,
    "c": 182.693,
    "alpha": 90.00,
    "beta": 90.88,
    "gamma": 90.00
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.930,1.950],
    "number_observations": 195348,
    "number_observations_unique": 67457,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.219
      },
      {
        "type": "R(meas)",
        "value": 0.267
      },
      {
        "type": "R(pim)",
        "value": 0.151
      },
      {
        "type": "I/SigI",
        "value": 3.635
      },
      {
        "type": "Completeness",
        "value": 76.4
      },
      {
        "type": "Redundancy",
        "value": 2.96
      },
      {
        "type": "CC(1/2)",
        "value": 0.958
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.036,1.950],
      "number_observations": 7257,
      "number_observations_unique": 3374,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.752
        },
        {
          "type": "R(meas)",
          "value": 0.970
        },
        {
          "type": "R(pim)",
          "value": 0.604
        },
        {
          "type": "I/SigI",
          "value": 1.286
        },
        {
          "type": "Completeness",
          "value": 31.25
        },
        {
          "type": "Redundancy",
          "value": 2.31
        },
        {
          "type": "CC(1/2)",
          "value": 0.453
        }
      ]
    },
    {
      "resolution_limits": [52.930,5.839],
      "number_observations": 9640,
      "number_observations_unique": 3373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "R(pim)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 6.320
        },
        {
          "type": "Completeness",
          "value": 98.45
        },
        {
          "type": "Redundancy",
          "value": 2.92
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    }
  ]

}
  

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


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