Data quality metrics extracted from 6zpf.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": "0c1e8bfcfb72003725d24971e7ce367c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 20.85,
    "b": 26.50,
    "c": 38.57,
    "alpha": 106.107,
    "beta": 96.001,
    "gamma": 92.722
  },
  "wavelengths": [1.28300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,1.44],
    "number_observations_unique": 12417,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "R(meas)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 11.04
      },
      {
        "type": "Completeness",
        "value": 87.3
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.44],
      "number_observations_unique": 5931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        },
        {
          "type": "R(meas)",
          "value": 0.343
        },
        {
          "type": "I/SigI",
          "value": 2.49
        },
        {
          "type": "Completeness",
          "value": 74.2
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    }
  ]

}
  

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


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