Data quality metrics extracted from 6wu8.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": "d58694da47ee9f8783cb73445d94ea40",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.671,
    "b": 83.203,
    "c": 217.701,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11583],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.130,2.400],
    "number_observations": 395923,
    "number_observations_unique": 37950,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.202
      },
      {
        "type": "R(meas)",
        "value": 0.212
      },
      {
        "type": "R(pim)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 8.100
      },
      {
        "type": "Completeness",
        "value": 95.300
      },
      {
        "type": "Redundancy",
        "value": 10.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.490,2.400],
      "number_observations": 37695,
      "number_observations_unique": 3726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.622
        },
        {
          "type": "R(meas)",
          "value": 1.709
        },
        {
          "type": "R(pim)",
          "value": 0.523
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 90.600
        },
        {
          "type": "Redundancy",
          "value": 10.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.405
        }
      ]
    },
    {
      "resolution_limits": [42.130,8.980],
      "number_observations": 9143,
      "number_observations_unique": 875,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "I/SigI",
          "value": 20.000
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 10.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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


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