Data quality metrics extracted from 6te4.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": "1d44c90ffbb49edd01d7c0a00d3da1a6",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.440,
    "b": 73.611,
    "c": 77.668,
    "alpha": 97.97,
    "beta": 114.95,
    "gamma": 104.51
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.632,2.29],
    "number_observations_unique": 53333,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1873
      },
      {
        "type": "R(meas)",
        "value": 0.2233
      },
      {
        "type": "R(pim)",
        "value": 0.1199
      },
      {
        "type": "I/SigI",
        "value": 6.96
      },
      {
        "type": "Completeness",
        "value": 94.85
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.29],
      "number_observations_unique": 2646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7321
        },
        {
          "type": "R(meas)",
          "value": 0.8725
        },
        {
          "type": "I/SigI",
          "value": 2.25
        },
        {
          "type": "Completeness",
          "value": 90.26
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.852
        }
      ]
    }
  ]

}
  

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


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