Data quality metrics extracted from 1nh0.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": "b94ae25ea78278688e16c3ec565341da",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 28.913,
    "b": 66.562,
    "c": 93.147,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.10,1.030],
    "number_observations_unique": 88784,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 9.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.06,1.03],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.595
        },
        {
          "type": "I/SigI",
          "value": 1.85
        },
        {
          "type": "Completeness",
          "value": 93.3
        },
        {
          "type": "Redundancy",
          "value": 5.2
        }
      ]
    }
  ]

}
  

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


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