Data quality metrics extracted from 6guz.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": "bbaf2ddd6c9ec5c61d05c1c788caebff",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 46.254,
    "b": 48.302,
    "c": 104.835,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96862],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.42,1.800],
    "number_observations_unique": 20412,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.199
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 5.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.8949,1.8000],
      "number_observations_unique": 1214,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.802
        },
        {
          "type": "R(pim)",
          "value": 0.338
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 93.7
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.675
        }
      ]
    }
  ]

}
  

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


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