Data quality metrics extracted from 7swc.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": "4f769040921f6a0b74da7fba672b9d27",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 68.51,
    "b": 68.51,
    "c": 104.86,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.9],
    "number_observations_unique": 27529,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.436
      },
      {
        "type": "R(meas)",
        "value": 0.534
      },
      {
        "type": "R(pim)",
        "value": 0.231
      },
      {
        "type": "I/SigI",
        "value": 2.43
      },
      {
        "type": "Completeness",
        "value": 90
      },
      {
        "type": "Redundancy",
        "value": 2.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.773
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.98,2.90],
      "number_observations_unique": 2085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.926
        },
        {
          "type": "R(meas)",
          "value": 1.133
        },
        {
          "type": "I/SigI",
          "value": 1.14
        },
        {
          "type": "Completeness",
          "value": 90.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.384
        }
      ]
    }
  ]

}
  

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


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