Data quality metrics extracted from 5nmz.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": "c844aa22dd3b14488c1b2be62ad1f1b9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.433,
    "b": 50.794,
    "c": 53.642,
    "alpha": 76.42,
    "beta": 89.33,
    "gamma": 94.74
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.12,1.6],
    "number_observations_unique": 37888,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.78
      },
      {
        "type": "Completeness",
        "value": 89.8
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.660,1.6],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.93
        },
        {
          "type": "Completeness",
          "value": 90.1
        },
        {
          "type": "Redundancy",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    }
  ]

}
  

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


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