Data quality metrics extracted from 1s2m.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": "6522048544b232c3becdc0e266c07c83",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.210,
    "b": 80.410,
    "c": 54.824,
    "alpha": 90.00,
    "beta": 100.57,
    "gamma": 90.00
  },
  "wavelengths": [0.91950,0.91980,0.91340],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.1],
    "number_observations_unique": 23923,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.22,2.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    }
  ]

}
  

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


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