Data quality metrics extracted from 8zw1.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": "56d74b8418f7d24bbc551721c12b3139",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.523,
    "b": 59.789,
    "c": 72.582,
    "alpha": 102.52,
    "beta": 98.23,
    "gamma": 118.76
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.83,2.03],
    "number_observations_unique": 48136,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.151
      },
      {
        "type": "I/SigI",
        "value": 1.6
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.14,2.03],
      "number_observations_unique": 7190,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.841
        },
        {
          "type": "R(meas)",
          "value": 1.134
        },
        {
          "type": "CC(1/2)",
          "value": 0.223
        }
      ]
    }
  ]

}
  

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


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