Data quality metrics extracted from 7r2s.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": "f8555856e00fa0678b7d143e4e6e4c9c",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 88.952,
    "b": 64.425,
    "c": 147.080,
    "alpha": 90.00,
    "beta": 91.46,
    "gamma": 90.00
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.34,2.194],
    "number_observations_unique": 41634,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 96.2
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.30,2.20],
      "number_observations_unique": 6564,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.645
        }
      ]
    }
  ]

}
  

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


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