Data quality metrics extracted from 9bem.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": "0c1876db81ede4a2a0ba1eb559869098",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 74.751,
    "b": 74.751,
    "c": 156.584,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.26],
    "number_observations_unique": 37361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "R(meas)",
        "value": 0.126
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 31.3
      },
      {
        "type": "Completeness",
        "value": 95.3
      },
      {
        "type": "Redundancy",
        "value": 16.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.26],
      "number_observations_unique": 482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.577
        },
        {
          "type": "R(meas)",
          "value": 0.651
        },
        {
          "type": "R(pim)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 2.94
        },
        {
          "type": "CC(1/2)",
          "value": 0.824
        }
      ]
    }
  ]

}
  

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


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