Data quality metrics extracted from 6jsc.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": "f9d76621b1e3a7197175c2af4198d34c",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.04,
    "b": 43.15,
    "c": 199.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.2,1.40],
    "number_observations_unique": 66461,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0665
      },
      {
        "type": "R(meas)",
        "value": 0.0716
      },
      {
        "type": "R(pim)",
        "value": 0.0263
      },
      {
        "type": "I/SigI",
        "value": 17.73
      },
      {
        "type": "Completeness",
        "value": 98.19
      },
      {
        "type": "Redundancy",
        "value": 7.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.40],
      "number_observations_unique": 6437,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.624
        },
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "R(pim)",
          "value": 0.243
        },
        {
          "type": "Completeness",
          "value": 96.87
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
        }
      ]
    }
  ]

}
  

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


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