Data quality metrics extracted from 8cj1.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": "f5eb953be13c4a9bd1f3f23231363a9d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 91.564,
    "b": 93.225,
    "c": 227.684,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97857],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.273,2.564],
    "number_observations_unique": 36613,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.413
      },
      {
        "type": "R(pim)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 6.844
      },
      {
        "type": "Completeness",
        "value": 57.79
      },
      {
        "type": "Redundancy",
        "value": 13.31
      },
      {
        "type": "CC(1/2)",
        "value": 0.9903
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.630,2.564],
      "number_observations_unique": 117,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.942
        },
        {
          "type": "R(pim)",
          "value": 0.485
        },
        {
          "type": "I/SigI",
          "value": 1.590
        },
        {
          "type": "Completeness",
          "value": 2.54
        },
        {
          "type": "Redundancy",
          "value": 4.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.3218
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 86.273 2.630
High resolution limit [Å] 2.564 2.564
R(merge) - 0.9420
R(meas) 0.4130 -
R(pim) 0.1120 0.4850
CC(1/2) 0.990 0.322
Completeness [%] 57.8 2.5
Multiplicity 13.3 5.1


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

Resolution [Å] R(merge) R(pim) CC(1/2) Completeness [%] Multiplicity
2.630-2.564 0.9420 0.4850 0.322 2.5 5.1