Data quality metrics extracted from 3uam.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": "2f13096ea8565f38208b767c3ad3ae8f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.92,
    "b": 74.78,
    "c": 74.77,
    "alpha": 120.04,
    "beta": 98.04,
    "gamma": 102.98
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.013,2.000],
    "number_observations_unique": 82444,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11800
      },
      {
        "type": "I/SigI",
        "value": 14.4200
      },
      {
        "type": "Completeness",
        "value": 98.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.05,2.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43700
        },
        {
          "type": "I/SigI",
          "value": 3.900
        },
        {
          "type": "Completeness",
          "value": 93.5
        }
      ]
    }
  ]

}
  

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


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