Data quality metrics extracted from 5dwu.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": "130a5c30da0fb36fefb8aeb62a3551e6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.953,
    "b": 71.289,
    "c": 221.234,
    "alpha": 90.00,
    "beta": 102.71,
    "gamma": 90.00
  },
  "wavelengths": [0.95400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.980,3.970],
    "number_observations": 97186,
    "number_observations_unique": 13201,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.904
      },
      {
        "type": "R(pim)",
        "value": 0.331
      },
      {
        "type": "I/SigI",
        "value": 3.300
      },
      {
        "type": "Completeness",
        "value": 98.100
      },
      {
        "type": "Redundancy",
        "value": 7.400
      },
      {
        "type": "CC(1/2)",
        "value": 0.932
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.430,3.970],
      "number_observations": 15417,
      "number_observations_unique": 3545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.926
        },
        {
          "type": "R(pim)",
          "value": 0.477
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 93.400
        },
        {
          "type": "Redundancy",
          "value": 4.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    },
    {
      "resolution_limits": [49.980,8.870],
      "number_observations": 10005,
      "number_observations_unique": 1246,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "R(pim)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 6.600
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 8.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.913
        }
      ]
    }
  ]

}
  

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


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