Data quality metrics extracted from 6tf0.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": "bacc22dbd3f3efdb96f3485f23281011",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 57.272,
    "b": 59.230,
    "c": 191.085,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.11,2.10],
    "number_observations_unique": 36174,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "R(pim)",
        "value": 0.016
      },
      {
        "type": "I/SigI",
        "value": 18.1
      },
      {
        "type": "Completeness",
        "value": 98.81
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.80
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.10],
      "number_observations_unique": 939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.44
        },
        {
          "type": "R(pim)",
          "value": 0.59
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.80
        }
      ]
    }
  ]

}
  

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


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