Data quality metrics extracted from 7tuf.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": "c976e15447a85dc75e225f37c75ea1a0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 117.422,
    "b": 68.988,
    "c": 142.981,
    "alpha": 90.000,
    "beta": 108.415,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.45,2.8],
    "number_observations_unique": 527753,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0871
      },
      {
        "type": "R(meas)",
        "value": 0.1016
      },
      {
        "type": "R(pim)",
        "value": 0.0517
      },
      {
        "type": "I/SigI",
        "value": 10.44
      },
      {
        "type": "Completeness",
        "value": 97.65
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.90,2.80],
      "number_observations_unique": 5107,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.8211
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "Completeness",
          "value": 95.32
        },
        {
          "type": "Redundancy",
          "value": 3.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.483
        }
      ]
    }
  ]

}
  

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


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