Data quality metrics extracted from 5nfz.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": "d62de029ac75f087a461f41ec3628f34",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.163,
    "b": 158.787,
    "c": 180.376,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97976],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.782,2.10],
    "number_observations_unique": 175862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.135
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 16.2
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.10],
      "number_observations_unique": 12854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.89
        },
        {
          "type": "R(pim)",
          "value": 0.879
        },
        {
          "type": "I/SigI",
          "value": 0.92
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 10.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.452
        }
      ]
    }
  ]

}
  

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


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