Data quality metrics extracted from 6t3e.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": "069388b95693399dc4cde522a40cc65b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 82.688,
    "b": 51.509,
    "c": 92.290,
    "alpha": 90.000,
    "beta": 115.906,
    "gamma": 90.000
  },
  "wavelengths": [0.97600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.8,2.60],
    "number_observations_unique": 20334,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2
      },
      {
        "type": "R(pim)",
        "value": 0.12
      },
      {
        "type": "I/SigI",
        "value": 11.05
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 4.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.93
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.60],
      "number_observations_unique": 9154,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8
        },
        {
          "type": "R(pim)",
          "value": 0.44
        },
        {
          "type": "I/SigI",
          "value": 2.64
        },
        {
          "type": "Completeness",
          "value": 95.8
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.60
        }
      ]
    }
  ]

}
  

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


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