Data quality metrics extracted from 8u5l.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": "01281a55f45d6c4c22b628ea411e3b4f",
  "space_group_name": "P 42 21 2",
  "unit_cell": {
    "a": 224.224,
    "b": 224.224,
    "c": 143.937,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.28,2.70],
    "number_observations": 2655968,
    "number_observations_unique": 100483,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.275
      },
      {
        "type": "R(meas)",
        "value": 0.280
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 26.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.70],
      "number_observations": 369148,
      "number_observations_unique": 14325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.382
        },
        {
          "type": "R(meas)",
          "value": 1.410
        },
        {
          "type": "R(pim)",
          "value": 0.275
        },
        {
          "type": "I/SigI",
          "value": 3.1
        },
        {
          "type": "Redundancy",
          "value": 25.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    }
  ]

}
  

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


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