Data quality metrics extracted from 8tpg.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": "bcef8262c98f0bcdfa077754f70767b5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.268,
    "b": 53.304,
    "c": 44.967,
    "alpha": 90.00,
    "beta": 102.13,
    "gamma": 90.00
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.109,1.692],
    "number_observations_unique": 29532,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "R(meas)",
        "value": 0.105
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 8.501
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.721,1.692],
      "number_observations_unique": 1473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.317
        },
        {
          "type": "R(meas)",
          "value": 2.531
        },
        {
          "type": "R(pim)",
          "value": 1.008
        },
        {
          "type": "Redundancy",
          "value": 6.2
        }
      ]
    }
  ]

}
  

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


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