Data quality metrics extracted from 5naj.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": "b688e02617b687234f432f21ea6372ea",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 77.954,
    "b": 80.766,
    "c": 73.630,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.6,1.46],
    "number_observations_unique": 81310,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.09
      },
      {
        "type": "I/SigI",
        "value": 11.79
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 5.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.46],
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 1.01
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 5.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    }
  ]

}
  

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


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