Data quality metrics extracted from 8u2e.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": "73a12a85efc60349a0cb96dcec2ac97d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.15,
    "b": 77.96,
    "c": 106.00,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.83,1.9],
    "number_observations_unique": 25668,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2844
      },
      {
        "type": "R(meas)",
        "value": 0.304
      },
      {
        "type": "R(pim)",
        "value": 0.1062
      },
      {
        "type": "I/SigI",
        "value": 7.57
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 8.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.90],
      "number_observations_unique": 2472,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.106
        },
        {
          "type": "R(meas)",
          "value": 2.246
        },
        {
          "type": "R(pim)",
          "value": 0.7739
        },
        {
          "type": "I/SigI",
          "value": 0.97
        },
        {
          "type": "Completeness",
          "value": 99.52
        },
        {
          "type": "Redundancy",
          "value": 8.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.338
        }
      ]
    }
  ]

}
  

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


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