Data quality metrics extracted from 6iwt.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": "d211632ca1671bb867b54fa10c2c4185",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 207.37,
    "b": 70.39,
    "c": 59.65,
    "alpha": 90.00,
    "beta": 97.87,
    "gamma": 90.00
  },
  "wavelengths": [0.97911],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.59,2.53],
    "number_observations_unique": 27497,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 14.9
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.53],
      "number_observations_unique": 7085,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.586
        },
        {
          "type": "R(pim)",
          "value": 0.372
        },
        {
          "type": "CC(1/2)",
          "value": 0.735
        }
      ]
    }
  ]

}
  

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


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