Data quality metrics extracted from 6fks.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": "2e80bad3687039223767fa29615b10f4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.52,
    "b": 75.85,
    "c": 75.64,
    "alpha": 90.00,
    "beta": 107.86,
    "gamma": 90.00
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.22,1.6],
    "number_observations_unique": 69426,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04149
      },
      {
        "type": "R(meas)",
        "value": 0.05004
      },
      {
        "type": "R(pim)",
        "value": 0.02764
      },
      {
        "type": "I/SigI",
        "value": 16.64
      },
      {
        "type": "Completeness",
        "value": 96.86
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.675,1.6],
      "number_observations_unique": 6619,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4457
        },
        {
          "type": "R(meas)",
          "value": 0.5549
        },
        {
          "type": "R(pim)",
          "value": 0.3253
        },
        {
          "type": "I/SigI",
          "value": 2.21
        },
        {
          "type": "Completeness",
          "value": 93.09
        },
        {
          "type": "Redundancy",
          "value": 2.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.802
        }
      ]
    }
  ]

}
  

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


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