Data quality metrics extracted from 6zh1.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": "e4f98e2b16db1cfbbf773dff4ce389c6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.273,
    "b": 60.327,
    "c": 145.681,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.87290],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.828,2.2],
    "number_observations_unique": 20180,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 12.531
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.237,2.2],
      "number_observations_unique": 993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.436
        },
        {
          "type": "R(meas)",
          "value": 2.529
        },
        {
          "type": "R(pim)",
          "value": 0.673
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 99
        },
        {
          "type": "Redundancy",
          "value": 13.78
        },
        {
          "type": "CC(1/2)",
          "value": 0.513
        }
      ]
    }
  ]

}
  

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


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