Data quality metrics extracted from 8w3z.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": "6575efc433f9eea47025c4f995fc7ef6",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 62.752,
    "b": 62.752,
    "c": 122.207,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.74,1.41],
    "number_observations": 233823,
    "number_observations_unique": 46970,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 85.8
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.41],
      "number_observations": 1258,
      "number_observations_unique": 955,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.776
        },
        {
          "type": "R(meas)",
          "value": 2.390
        },
        {
          "type": "R(pim)",
          "value": 1.582
        },
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Redundancy",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.255
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 40.740 1.430
High resolution limit [Å] 1.410 1.410
R(merge) 0.0760 1.7760
R(meas) 0.0840 2.3900
R(pim) 0.0330 1.5820
CC(1/2) 0.996 0.255
Completeness [%] 85.8 -
Multiplicity 5.0 1.3


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
1.430-1.410 1.7760 2.3900 1.5820 0.255 1.3