Data quality metrics extracted from 7za1.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": "5bb188763b75ecb3144e49486f267e03",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 102.643,
    "b": 157.584,
    "c": 126.601,
    "alpha": 90.000,
    "beta": 102.949,
    "gamma": 90.000
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [123.4,4.10],
    "number_observations_unique": 22459,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "R(meas)",
        "value": 0.130
      },
      {
        "type": "R(pim)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 3.4
      },
      {
        "type": "Completeness",
        "value": 73.0
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  }
}
  

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


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