Data quality metrics extracted from 6xnc.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": "5fef4546080ec2cac7f0e336055d7cf4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 182.289,
    "b": 57.529,
    "c": 67.266,
    "alpha": 90.00,
    "beta": 94.83,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.52,2.11],
    "number_observations_unique": 37470,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1018
      },
      {
        "type": "R(meas)",
        "value": 0.1222
      },
      {
        "type": "I/SigI",
        "value": 9.98
      },
      {
        "type": "Completeness",
        "value": 92.24
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.185,2.11],
      "number_observations_unique": 2186,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4377
        },
        {
          "type": "R(meas)",
          "value": 0.5754
        },
        {
          "type": "I/SigI",
          "value": 1.73
        },
        {
          "type": "CC(1/2)",
          "value": 0.8
        }
      ]
    }
  ]

}
  

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


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