Data quality metrics extracted from 9axn.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": "8346ad85f6c9c736a1b181ec9da584b8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 69.777,
    "b": 98.238,
    "c": 159.724,
    "alpha": 77.73,
    "beta": 85.32,
    "gamma": 77.95
  },
  "wavelengths": [0.97741],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.37,2.40],
    "number_observations": 277415,
    "number_observations_unique": 154677,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "R(meas)",
        "value": 0.151
      },
      {
        "type": "R(pim)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 5.8
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.44,2.40],
      "number_observations": 13230,
      "number_observations_unique": 7517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.738
        },
        {
          "type": "R(meas)",
          "value": 1.044
        },
        {
          "type": "R(pim)",
          "value": 0.738
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.410
        }
      ]
    }
  ]

}
  

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


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