Data quality metrics extracted from 6tj6.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": "a0db7e1c82e17d989981e23b2a87609b",
  "space_group_name": "P 41",
  "unit_cell": {
    "a": 86.831,
    "b": 86.831,
    "c": 54.938,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.9,2.0],
    "number_observations_unique": 27763,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04
      },
      {
        "type": "R(meas)",
        "value": 0.15
      },
      {
        "type": "R(pim)",
        "value": 0.01
      },
      {
        "type": "I/SigI",
        "value": 31.0
      },
      {
        "type": "Completeness",
        "value": 99.91
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations_unique": 2711,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.35
        },
        {
          "type": "R(meas)",
          "value": 1.41
        },
        {
          "type": "R(pim)",
          "value": 0.39
        },
        {
          "type": "I/SigI",
          "value": 1.74
        },
        {
          "type": "Completeness",
          "value": 99.38
        },
        {
          "type": "Redundancy",
          "value": 12.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.72
        }
      ]
    }
  ]

}
  

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


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