Data quality metrics extracted from 8w3d.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": "d1139298f1ddee8fe22a4023cece37d2",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 81.130,
    "b": 129.867,
    "c": 132.385,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.12713],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.30,2.04],
    "number_observations_unique": 89461,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "R(meas)",
        "value": 0.155
      },
      {
        "type": "R(pim)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 8.2
      },
      {
        "type": "Completeness",
        "value": 99.88
      },
      {
        "type": "Redundancy",
        "value": 12.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.11,2.04],
      "number_observations_unique": 8792,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.730
        },
        {
          "type": "R(meas)",
          "value": 1.808
        },
        {
          "type": "R(pim)",
          "value": 0.519
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 99.84
        },
        {
          "type": "Redundancy",
          "value": 11.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 33.300 2.110
High resolution limit [Å] 2.040 2.040
R(merge) 0.1490 1.7300
R(meas) 0.1550 1.8080
R(pim) 0.0430 0.5190
CC(1/2) 0.998 0.798
Completeness [%] 99.9 99.8
Multiplicity 12.9 11.9


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
2.110-2.040 1.7300 1.8080 0.5190 0.798 99.8 11.9