Data quality metrics extracted from 6hsw.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": "5f336cd05c77e5ca2e6994f4dd9c6387",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 121.173,
    "b": 121.173,
    "c": 198.203,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.81,2.147],
    "number_observations_unique": 92246,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1978
      },
      {
        "type": "R(meas)",
        "value": 0.2028
      },
      {
        "type": "R(pim)",
        "value": 0.04459
      },
      {
        "type": "I/SigI",
        "value": 13.86
      },
      {
        "type": "Completeness",
        "value": 99.79
      },
      {
        "type": "Redundancy",
        "value": 20.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.224,2.147],
      "number_observations_unique": 9051,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.4095
        },
        {
          "type": "I/SigI",
          "value": 1.37
        },
        {
          "type": "Completeness",
          "value": 98.96
        },
        {
          "type": "Redundancy",
          "value": 19.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.634
        }
      ]
    }
  ]

}
  

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


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