Data quality metrics extracted from 7tuh.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": "f0b8d60aec8cecfdba25131eb9fb06e5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.104,
    "b": 62.127,
    "c": 128.462,
    "alpha": 90.000,
    "beta": 90.036,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.23,2.30],
    "number_observations_unique": 34309,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1086
      },
      {
        "type": "R(meas)",
        "value": 0.1195
      },
      {
        "type": "R(pim)",
        "value": 0.0490
      },
      {
        "type": "I/SigI",
        "value": 8.66
      },
      {
        "type": "Completeness",
        "value": 98.98
      },
      {
        "type": "Redundancy",
        "value": 5.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "number_observations_unique": 3406,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.866
        },
        {
          "type": "I/SigI",
          "value": 0.78
        },
        {
          "type": "Completeness",
          "value": 98.81
        },
        {
          "type": "CC(1/2)",
          "value": 0.300
        }
      ]
    }
  ]

}
  

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


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