Data quality metrics extracted from 7q3j.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": "0752b6bb17bff5a5a1b25dd296553502",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 58.890,
    "b": 45.656,
    "c": 72.882,
    "alpha": 90.000,
    "beta": 92.155,
    "gamma": 90.000
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.93,1.9],
    "number_observations_unique": 14904,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06275
      },
      {
        "type": "R(meas)",
        "value": 0.07447
      },
      {
        "type": "R(pim)",
        "value": 0.03932
      },
      {
        "type": "I/SigI",
        "value": 22.28
      },
      {
        "type": "Completeness",
        "value": 96.53
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 1490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3193
        },
        {
          "type": "R(meas)",
          "value": 0.3746
        },
        {
          "type": "R(pim)",
          "value": 0.193
        },
        {
          "type": "I/SigI",
          "value": 2.24
        },
        {
          "type": "Completeness",
          "value": 95.69
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.755
        }
      ]
    }
  ]

}
  

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


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