Data quality metrics extracted from 7a9o.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": "d1739c05e93608bb86205c4852662ef7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 21.189,
    "b": 26.592,
    "c": 38.969,
    "alpha": 105.791,
    "beta": 97.082,
    "gamma": 91.170
  },
  "wavelengths": [1.28300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.2,1.60],
    "number_observations_unique": 18361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "R(meas)",
        "value": 0.126
      },
      {
        "type": "I/SigI",
        "value": 5.17
      },
      {
        "type": "Completeness",
        "value": 85.7
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.70,1.60],
      "number_observations_unique": 2780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.510
        },
        {
          "type": "R(meas)",
          "value": 0.722
        },
        {
          "type": "I/SigI",
          "value": 1.32
        },
        {
          "type": "CC(1/2)",
          "value": 0.889
        }
      ]
    }
  ]

}
  

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


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