Data quality metrics extracted from 5qte.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": "425d81e6f1c090d3f4e96c5e31ddb64f",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 60.583,
    "b": 60.583,
    "c": 341.208,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.868,2.072],
    "number_observations": 586997,
    "number_observations_unique": 17265,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.343
      },
      {
        "type": "R(meas)",
        "value": 0.322
      },
      {
        "type": "R(pim)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 14.600
      },
      {
        "type": "Completeness",
        "value": 72.300
      },
      {
        "type": "Redundancy",
        "value": 36.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.257,2.072],
      "number_observations": 87927,
      "number_observations_unique": 2175,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.733
        },
        {
          "type": "R(meas)",
          "value": 2.549
        },
        {
          "type": "R(pim)",
          "value": 0.397
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 16.600
        },
        {
          "type": "Redundancy",
          "value": 23.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    }
  ]

}
  

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


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