Data quality metrics extracted from 1n3b.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": "cebe9b5f2f67bed394d83c79aab483eb",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.50,
    "b": 82.41,
    "c": 76.00,
    "alpha": 90.00,
    "beta": 94.77,
    "gamma": 90.00
  },
  "wavelengths": [0.97957,0.97941],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,1.8],
    "number_observations_unique": 59512,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      },
      {
        "type": "I/SigI",
        "value": 26.1
      },
      {
        "type": "Completeness",
        "value": 86.3
      },
      {
        "type": "Redundancy",
        "value": 6.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.81],
      "number_observations_unique": 5096,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.439
        },
        {
          "type": "Completeness",
          "value": 74.3
        }
      ]
    }
  ]

}
  

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


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