Data quality metrics extracted from 6uff.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": "3f4e0d069a767cd4de0e49b750b52eec",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 81.565,
    "b": 95.589,
    "c": 99.903,
    "alpha": 66.79,
    "beta": 89.91,
    "gamma": 82.58
  },
  "wavelengths": [0.97895],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90,2.0],
    "number_observations_unique": 178989,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(meas)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 8.73
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.13,2.01],
      "number_observations_unique": 28111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.668
        },
        {
          "type": "R(meas)",
          "value": 0.796
        },
        {
          "type": "I/SigI",
          "value": 1.63
        },
        {
          "type": "Completeness",
          "value": 94.5
        },
        {
          "type": "Redundancy",
          "value": 3.37
        },
        {
          "type": "CC(1/2)",
          "value": 0.644
        }
      ]
    }
  ]

}
  

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


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