Data quality metrics extracted from 8se5.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": "4599a79ef792d5f8f058b19e91c7425b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.210,
    "b": 43.361,
    "c": 64.526,
    "alpha": 90.00,
    "beta": 102.87,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.57,1.43],
    "number_observations": 138684,
    "number_observations_unique": 41857,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.060
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.040
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 83.4
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.43],
      "number_observations": 2047,
      "number_observations_unique": 760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.921
        },
        {
          "type": "R(meas)",
          "value": 1.118
        },
        {
          "type": "R(pim)",
          "value": 0.623
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.492
        }
      ]
    }
  ]

}
  

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


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