Data quality metrics extracted from 28sw.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "20843772818f8ad68358a9e828a42575",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 62.468,
    "b": 67.095,
    "c": 75.188,
    "alpha": 90.000,
    "beta": 91.037,
    "gamma": 90.000
  },
  "wavelengths": [0.61991],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.62,2.92],
    "number_observations_unique": 6831,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3478
      },
      {
        "type": "R(meas)",
        "value": 0.3812
      },
      {
        "type": "R(pim)",
        "value": 0.1537
      },
      {
        "type": "I/SigI",
        "value": 3.99
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.972
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.22,2.92],
      "number_observations_unique": 1687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.11
        },
        {
          "type": "R(meas)",
          "value": 1.214
        },
        {
          "type": "R(pim)",
          "value": 0.487
        },
        {
          "type": "I/SigI",
          "value": 1.60
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    }
  ]

}
  

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


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