Data quality metrics extracted from 1s20.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": "e0899bf76f407de3033f1603afe79904",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 75.524,
    "b": 81.275,
    "c": 113.215,
    "alpha": 79.55,
    "beta": 77.22,
    "gamma": 82.01
  },
  "wavelengths": [0.97240],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.02,2.2],
    "number_observations_unique": 125617,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 12.29
      },
      {
        "type": "Completeness",
        "value": 95.2
      },
      {
        "type": "Redundancy",
        "value": 1.87
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.20],
      "number_observations_unique": 12811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 88.8
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    }
  ]

}
  

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


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