Data quality metrics extracted from 5xp9.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": "57cbdd3c1d0944cc6ddfe365c63c24fa",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 41.595,
    "b": 60.185,
    "c": 41.796,
    "alpha": 90.00,
    "beta": 98.95,
    "gamma": 90.00
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.550],
    "number_observations_unique": 28178,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11600
      },
      {
        "type": "I/SigI",
        "value": 9.6000
      },
      {
        "type": "Completeness",
        "value": 95.5
      },
      {
        "type": "Redundancy",
        "value": 7.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69700
        },
        {
          "type": "Completeness",
          "value": 94.2
        },
        {
          "type": "Redundancy",
          "value": 6.90
        }
      ]
    }
  ]

}
  

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


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