Data quality metrics extracted from 8tca.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": "b0944de94c2f008d701d6829d7c31af6",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 79.906,
    "b": 79.906,
    "c": 145.127,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70,2.02],
    "number_observations_unique": 31198,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2183
      },
      {
        "type": "R(meas)",
        "value": 0.2341
      },
      {
        "type": "R(pim)",
        "value": 0.08188
      },
      {
        "type": "I/SigI",
        "value": 9.71
      },
      {
        "type": "Completeness",
        "value": 98.24
      },
      {
        "type": "Redundancy",
        "value": 7.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.092,2.02],
      "number_observations_unique": 2999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.29
        },
        {
          "type": "R(meas)",
          "value": 2.466
        },
        {
          "type": "R(pim)",
          "value": 0.8885
        },
        {
          "type": "I/SigI",
          "value": 1.08
        },
        {
          "type": "Completeness",
          "value": 96.71
        },
        {
          "type": "Redundancy",
          "value": 7.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.546
        }
      ]
    }
  ]

}
  

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


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