Data quality metrics extracted from 8tac.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": "2c8f03dd1049c7b05c9c7c0e80565ca5",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 28.352,
    "b": 103.996,
    "c": 32.825,
    "alpha": 90.00,
    "beta": 99.47,
    "gamma": 90.00
  },
  "wavelengths": [0.97740],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52,2.34],
    "number_observations_unique": 7888,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1832
      },
      {
        "type": "R(meas)",
        "value": 0.1998
      },
      {
        "type": "R(pim)",
        "value": 0.07882
      },
      {
        "type": "I/SigI",
        "value": 5.38
      },
      {
        "type": "Completeness",
        "value": 99.57
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.979
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.424,2.34],
      "number_observations_unique": 772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2997
        },
        {
          "type": "R(meas)",
          "value": 0.3272
        },
        {
          "type": "R(pim)",
          "value": 0.1298
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "Completeness",
          "value": 99.87
        },
        {
          "type": "Redundancy",
          "value": 6.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.895
        }
      ]
    }
  ]

}
  

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


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