Data quality metrics extracted from 9fk1.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": "07349f665308c132eaccf6793d3674b2",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 88.980,
    "b": 61.900,
    "c": 111.322,
    "alpha": 90.000,
    "beta": 104.983,
    "gamma": 90.000
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.83,1.95],
    "number_observations_unique": 42630,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "R(meas)",
        "value": 0.1
      },
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 16.6
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.02,1.95],
      "number_observations_unique": 2952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.80
        },
        {
          "type": "R(meas)",
          "value": 0.93
        },
        {
          "type": "R(pim)",
          "value": 0.45
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.59
        }
      ]
    }
  ]

}
  

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


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