Data quality metrics extracted from 5nif.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": "e0da52e10d7ee844b4a969a31281464a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 134.044,
    "b": 302.010,
    "c": 143.840,
    "alpha": 90.00,
    "beta": 112.55,
    "gamma": 90.00
  },
  "wavelengths": [0.91800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.01,3.0],
    "number_observations_unique": 210084,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.197
      },
      {
        "type": "I/SigI",
        "value": 5.2
      },
      {
        "type": "Completeness",
        "value": 99.93
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.107,3.00],
      "number_observations_unique": 20926,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    }
  ]

}
  

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


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