Data quality metrics extracted from 1c1a.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": "1e73007caa2a321ad0afe8974d655cec",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 66.240,
    "b": 46.339,
    "c": 94.309,
    "alpha": 90.00,
    "beta": 101.76,
    "gamma": 90.00
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.000,3.000],
    "number_observations_unique": 11250,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0600000
      },
      {
        "type": "I/SigI",
        "value": 15.6000
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 3.400
      }
    ]
  }
}
  

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


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