Data quality metrics extracted from 5amd.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": "1e41a1d948f8f5decbb420ebf2685ed4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.16,
    "b": 41.53,
    "c": 72.01,
    "alpha": 90.00,
    "beta": 104.47,
    "gamma": 90.00
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,1.50],
    "number_observations_unique": 36798,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06
      },
      {
        "type": "I/SigI",
        "value": 9.00
      },
      {
        "type": "Completeness",
        "value": 95.0
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "I/SigI",
          "value": 2.10
        },
        {
          "type": "Completeness",
          "value": 93.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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