Data quality metrics extracted from 8swj.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": "6c15970d73c83a247ccd5ca30a9b2a36",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 56.159,
    "b": 55.902,
    "c": 78.522,
    "alpha": 90.00,
    "beta": 105.37,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.01,1.60],
    "number_observations_unique": 61582,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "R(meas)",
        "value": 0.045
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 15.0
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.60],
      "number_observations": 11366,
      "number_observations_unique": 3026,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.658
        },
        {
          "type": "R(meas)",
          "value": 0.773
        },
        {
          "type": "R(pim)",
          "value": 0.395
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.680
        }
      ]
    }
  ]

}
  

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


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