Data quality metrics extracted from 6nz1.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": "b53bb83b41f6e196e27427395f79e0e2",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.647,
    "b": 76.747,
    "c": 91.946,
    "alpha": 90.00,
    "beta": 106.06,
    "gamma": 90.00
  },
  "wavelengths": [1.11110],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [88.36,1.74],
    "number_observations_unique": 68147,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.174
      },
      {
        "type": "R(meas)",
        "value": 0.190
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 98.68
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.74],
      "number_observations_unique": 6108,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 89.18
        },
        {
          "type": "CC(1/2)",
          "value": 0.336
        }
      ]
    }
  ]

}
  

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


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