Data quality metrics extracted from 8id2.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": "38f461d86aaf2a4c9531d1a9eb93eca0",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.455,
    "b": 60.214,
    "c": 103.713,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.07000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.39,1.80],
    "number_observations_unique": 32309,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "R(meas)",
        "value": 0.051
      },
      {
        "type": "R(pim)",
        "value": 0.014
      },
      {
        "type": "I/SigI",
        "value": 20.5
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.84,1.80],
      "number_observations_unique": 1809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.198
        },
        {
          "type": "R(meas)",
          "value": 4.362
        },
        {
          "type": "R(pim)",
          "value": 1.604
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 13.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.458
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 40.390 1.840
High resolution limit [Å] 1.800 1.800
R(merge) 0.0490 4.1980
R(meas) 0.0510 4.3620
R(pim) 0.0140 1.6040
CC(1/2) 0.999 0.458
Completeness [%] 99.7 95.8
Multiplicity 13.4 13.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
1.840-1.800 4.1980 4.3620 1.6040 0.458 95.8 13.4