Data quality metrics extracted from 6o8d.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": "0ba0463a4a6113ba0118e6b42f16897f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 153.140,
    "b": 60.139,
    "c": 152.558,
    "alpha": 90.00,
    "beta": 104.04,
    "gamma": 90.00
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.050,3.550],
    "number_observations": 53137,
    "number_observations_unique": 16611,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.192
      },
      {
        "type": "R(meas)",
        "value": 0.235
      },
      {
        "type": "R(pim)",
        "value": 0.133
      },
      {
        "type": "I/SigI",
        "value": 4.000
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 3.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.635
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.640,3.550],
      "number_observations": 3987,
      "number_observations_unique": 1192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.717
        },
        {
          "type": "R(meas)",
          "value": 0.858
        },
        {
          "type": "R(pim)",
          "value": 0.465
        },
        {
          "type": "I/SigI",
          "value": 1.500
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.567
        }
      ]
    },
    {
      "resolution_limits": [74.050,15.880],
      "number_observations": 535,
      "number_observations_unique": 211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.144
        },
        {
          "type": "R(pim)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 9.800
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 2.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    }
  ]

}
  

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


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