Data quality metrics extracted from 8b5w.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": "589b19597d3e017a4391bebb22496f26",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 67.131,
    "b": 84.644,
    "c": 148.130,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.28200,1.28310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.07,1.8],
    "number_observations_unique": 36081,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02395
      },
      {
        "type": "R(meas)",
        "value": 0.03387
      },
      {
        "type": "R(pim)",
        "value": 0.02395
      },
      {
        "type": "I/SigI",
        "value": 23.84
      },
      {
        "type": "Completeness",
        "value": 91.33
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.864,1.8],
      "number_observations_unique": 3577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2907
        },
        {
          "type": "R(meas)",
          "value": 0.4111
        },
        {
          "type": "R(pim)",
          "value": 0.2907
        },
        {
          "type": "I/SigI",
          "value": 2.56
        },
        {
          "type": "Completeness",
          "value": 91.67
        },
        {
          "type": "Redundancy",
          "value": 2
        },
        {
          "type": "CC(1/2)",
          "value": 0.872
        }
      ]
    }
  ]

}
  

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


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