Data quality metrics extracted from 3n2s.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": "97d80da67e86cee557ce90328d2a2226",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.55,
    "b": 54.81,
    "c": 90.50,
    "alpha": 87.68,
    "beta": 87.64,
    "gamma": 65.14
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.95],
    "number_observations_unique": 64071,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 23.8
      },
      {
        "type": "Completeness",
        "value": 95.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2,1.95],
      "number_observations_unique": 8391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 86.6
        }
      ]
    }
  ]

}
  

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


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