Data quality metrics extracted from 9j1d.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": "e66956bb691e6f92f54245df7bbfbfb2",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 141.43,
    "b": 141.43,
    "c": 80.41,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.25,3.49],
    "number_observations": 264888,
    "number_observations_unique": 10870,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.186
      },
      {
        "type": "R(meas)",
        "value": 0.190
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 17.7
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 24.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.58,3.49],
      "number_observations": 20492,
      "number_observations_unique": 782,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.069
        },
        {
          "type": "R(meas)",
          "value": 1.090
        },
        {
          "type": "R(pim)",
          "value": 0.212
        },
        {
          "type": "I/SigI",
          "value": 4.1
        },
        {
          "type": "Redundancy",
          "value": 26.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.880
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 63.250 3.580
High resolution limit [Å] 3.490 3.490
R(merge) 0.1860 1.0690
R(meas) 0.1900 1.0900
R(pim) 0.0390 0.2120
CC(1/2) 0.996 0.880
Completeness [%] 100.0 -
Multiplicity 24.4 26.2


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
3.580-3.490 1.0690 1.0900 0.2120 0.880 26.2