Data quality metrics extracted from 8aw7.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": "57a2593247ea9e43c7fd2d959335e91d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.693,
    "b": 48.926,
    "c": 52.471,
    "alpha": 92.404,
    "beta": 103.519,
    "gamma": 109.050
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.7,2.64],
    "number_observations_unique": 9928,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06186
      },
      {
        "type": "R(meas)",
        "value": 0.07466
      },
      {
        "type": "R(pim)",
        "value": 0.04102
      },
      {
        "type": "I/SigI",
        "value": 17.93
      },
      {
        "type": "Completeness",
        "value": 98.68
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.734,2.64],
      "number_observations_unique": 985,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.309
        },
        {
          "type": "R(meas)",
          "value": 0.3872
        },
        {
          "type": "R(pim)",
          "value": 0.2283
        },
        {
          "type": "I/SigI",
          "value": 3.34
        },
        {
          "type": "CC(1/2)",
          "value": 0.314
        }
      ]
    }
  ]

}
  

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


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