Data quality metrics extracted from 7sw4.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": "0e1e1f0f253e8804e79c63ea3ac99ff8",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 67.72,
    "b": 67.72,
    "c": 102.85,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32,2.4],
    "number_observations_unique": 47088,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.325
      },
      {
        "type": "R(meas)",
        "value": 0.386
      },
      {
        "type": "R(pim)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 3.26
      },
      {
        "type": "Completeness",
        "value": 78.6
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.925
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.45],
      "number_observations_unique": 4978,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.057
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 79.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.486
        }
      ]
    }
  ]

}
  

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


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