Data quality metrics extracted from 9bfx.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": "cd9ca5fae071c0c01934c75c5f1c9c2d",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 66.25,
    "b": 47.62,
    "c": 101.79,
    "alpha": 90.00,
    "beta": 93.17,
    "gamma": 90.00
  },
  "wavelengths": [1.00004],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.82,1.40],
    "number_observations_unique": 123895,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03766
      },
      {
        "type": "R(meas)",
        "value": 0.04501
      },
      {
        "type": "R(pim)",
        "value": 0.0244
      },
      {
        "type": "I/SigI",
        "value": 14.43
      },
      {
        "type": "Completeness",
        "value": 99.07
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations_unique": 12065,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5251
        },
        {
          "type": "R(meas)",
          "value": 0.6501
        },
        {
          "type": "R(pim)",
          "value": 0.3773
        },
        {
          "type": "Completeness",
          "value": 97.12
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.69
        }
      ]
    }
  ]

}
  

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


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