Data quality metrics extracted from 8s3d.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": "83903b27aa9851b445dc3713333fb98e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 111.832,
    "b": 155.707,
    "c": 163.089,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.89,1.65],
    "number_observations_unique": 337626,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 6.83
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 7.49
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.65],
      "number_observations_unique": 53784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.445
        },
        {
          "type": "R(meas)",
          "value": 1.548
        },
        {
          "type": "I/SigI",
          "value": 1.11
        },
        {
          "type": "Completeness",
          "value": 98.7
        },
        {
          "type": "Redundancy",
          "value": 7.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.532
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 65.890 1.750
High resolution limit [Å] 1.650 1.650
R(merge) 0.0920 1.4450
R(meas) - 1.5480
CC(1/2) 0.994 0.532
Completeness [%] 99.5 98.7
Multiplicity 7.5 7.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
1.750-1.650 1.4450 1.5480 0.532 98.7 7.6