Data quality metrics extracted from 8wpt.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": "205070a4f6f3d98e24ba0470d01e1b91",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 181.6,
    "b": 181.6,
    "c": 181.6,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.42,2.36],
    "number_observations_unique": 19904,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.161
      },
      {
        "type": "R(meas)",
        "value": 0.163
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 24.4
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 37.6
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.36],
      "number_observations": 30778,
      "number_observations_unique": 793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.007
        },
        {
          "type": "R(meas)",
          "value": 2.033
        },
        {
          "type": "R(pim)",
          "value": 0.324
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Redundancy",
          "value": 38.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.849
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 52.420 2.420
High resolution limit [Å] 2.360 2.360
R(merge) 0.1610 2.0070
R(meas) 0.1630 2.0330
R(pim) 0.0260 0.3240
CC(1/2) 1.000 0.849
Completeness [%] 99.9 -
Multiplicity 37.6 38.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
2.420-2.360 2.0070 2.0330 0.3240 0.849 38.8