Data quality metrics extracted from 6zef.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": "9e7328834334f89a2d5dac929058d162",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.510,
    "b": 57.550,
    "c": 89.614,
    "alpha": 78.076,
    "beta": 74.673,
    "gamma": 81.660
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.05,1.94],
    "number_observations_unique": 65136,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1329
      },
      {
        "type": "R(meas)",
        "value": 0.1414
      },
      {
        "type": "R(pim)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 9.77
      },
      {
        "type": "Completeness",
        "value": 98.54
      },
      {
        "type": "Redundancy",
        "value": 8.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.88
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.94],
      "number_observations_unique": 6061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.579
        },
        {
          "type": "R(meas)",
          "value": 0.64
        },
        {
          "type": "R(pim)",
          "value": 0.26
        },
        {
          "type": "I/SigI",
          "value": 2.73
        },
        {
          "type": "Completeness",
          "value": 91.97
        },
        {
          "type": "CC(1/2)",
          "value": 0.885
        }
      ]
    }
  ]

}
  

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


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