Data quality metrics extracted from 7n1b.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": "2116c0f5989ec146daf0463967dc28b7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.204,
    "b": 49.259,
    "c": 117.094,
    "alpha": 91.89,
    "beta": 92.39,
    "gamma": 118.59
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.2,2.81],
    "number_observations_unique": 37697,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.911
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.91,2.81],
      "number_observations_unique": 3276,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    }
  ]

}
  

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


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