Data quality metrics extracted from 6qj3.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": "e84503c801baea0dedfdeeeb3a4fbac5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 86.615,
    "b": 81.760,
    "c": 132.878,
    "alpha": 90.00,
    "beta": 93.15,
    "gamma": 90.00
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.11,3.30],
    "number_observations_unique": 27912,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.190
      },
      {
        "type": "R(pim)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 11.5
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 12.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.50,3.30],
      "number_observations_unique": 4321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.108
        },
        {
          "type": "R(meas)",
          "value": 1.1287
        },
        {
          "type": "R(pim)",
          "value": 0.645
        },
        {
          "type": "I/SigI",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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