Data quality metrics extracted from 7a9s.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": "651744f26422dfdf98479401a62bd9e4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 21.193,
    "b": 26.339,
    "c": 38.928,
    "alpha": 105.044,
    "beta": 97.539,
    "gamma": 91.127
  },
  "wavelengths": [1.28300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.2,2.29],
    "number_observations_unique": 6237,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.133
      },
      {
        "type": "R(meas)",
        "value": 0.189
      },
      {
        "type": "I/SigI",
        "value": 3.87
      },
      {
        "type": "Completeness",
        "value": 85.7
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.972
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.43,2.29],
      "number_observations_unique": 924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.474
        },
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "I/SigI",
          "value": 1.38
        },
        {
          "type": "CC(1/2)",
          "value": 0.631
        }
      ]
    }
  ]

}
  

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


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