Data quality metrics extracted from 5n53.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": "c127762decd6506c7ac99d0aab2f729b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.353,
    "b": 45.323,
    "c": 55.255,
    "alpha": 97.90,
    "beta": 110.06,
    "gamma": 106.35
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.12,1.48],
    "number_observations_unique": 51238,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(pim)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 4.6
      },
      {
        "type": "Completeness",
        "value": 86.1
      },
      {
        "type": "Redundancy",
        "value": 2.13
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.5],
      "number_observations_unique": 2530,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.088
        },
        {
          "type": "R(pim)",
          "value": 0.972
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Completeness",
          "value": 85.8
        },
        {
          "type": "Redundancy",
          "value": 2.14
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    }
  ]

}
  

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


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