Data quality metrics extracted from 7jrh.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": "5b3a52f12fc7996060491bf8c077f477",
  "space_group_name": "I 2 3",
  "unit_cell": {
    "a": 42.486,
    "b": 42.486,
    "c": 42.486,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.09,1.32],
    "number_observations_unique": 51865,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04568
      },
      {
        "type": "R(meas)",
        "value": 0.04648
      },
      {
        "type": "R(pim)",
        "value": 0.008085
      },
      {
        "type": "I/SigI",
        "value": 30.81
      },
      {
        "type": "Completeness",
        "value": 99.74
      },
      {
        "type": "Redundancy",
        "value": 16.6
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.368,1.321],
      "number_observations_unique": 2021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3153
        },
        {
          "type": "R(meas)",
          "value": 0.3423
        },
        {
          "type": "R(pim)",
          "value": 0.1275
        },
        {
          "type": "I/SigI",
          "value": 3.32
        },
        {
          "type": "Completeness",
          "value": 97.83
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    }
  ]

}
  

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


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