Data quality metrics extracted from 9tad.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "16c5dd89916d00931922d1ae81d66946",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.760,
    "b": 43.182,
    "c": 63.095,
    "alpha": 90.00,
    "beta": 114.91,
    "gamma": 90.00
  },
  "wavelengths": [0.77490],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.46,2.04],
    "number_observations": 27152,
    "number_observations_unique": 14902,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.128
      },
      {
        "type": "R(pim)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 20.5
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.980
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.04],
      "number_observations": 2107,
      "number_observations_unique": 1149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.661
        },
        {
          "type": "R(pim)",
          "value": 0.467
        },
        {
          "type": "I/SigI",
          "value": 4.7
        },
        {
          "type": "Redundancy",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.413
        }
      ]
    }
  ]

}
  

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


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