Data quality metrics extracted from 8s3f.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": "5e0a356a1ca14e4f912f935c084f0b5e",
  "space_group_name": "P 41 3 2",
  "unit_cell": {
    "a": 123.92,
    "b": 123.92,
    "c": 123.92,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.65,1.76],
    "number_observations_unique": 32397,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.118
      },
      {
        "type": "I/SigI",
        "value": 8.41
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 4.38
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.80,1.76],
      "number_observations_unique": 2351,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.557
        },
        {
          "type": "I/SigI",
          "value": 2.31
        },
        {
          "type": "Completeness",
          "value": 99.0
        },
        {
          "type": "Redundancy",
          "value": 4.47
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 71.650 1.800
High resolution limit [Å] 1.760 1.760
R(meas) 0.1180 0.5570
CC(1/2) 0.995 0.824
Completeness [%] 98.2 99.0
Multiplicity 4.4 4.5


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

Resolution [Å] R(meas) CC(1/2) Completeness [%] Multiplicity
1.800-1.760 0.5570 0.824 99.0 4.5