Data quality metrics extracted from 1pa7.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": "cf083f65cc1faea9aa0f80e08e263634",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.856,
    "b": 48.453,
    "c": 44.968,
    "alpha": 90.00,
    "beta": 103.36,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.45],
    "number_observations_unique": 23798,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.042
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.5,1.45],
      "number_observations_unique": 2278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.228
        }
      ]
    }
  ]

}
  

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


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