Data quality metrics extracted from 6byg.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": "20e5c427c5186882a6ef17c4d7b8fd3a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 79.445,
    "b": 116.048,
    "c": 104.936,
    "alpha": 90.00,
    "beta": 98.17,
    "gamma": 90.00
  },
  "wavelengths": [1.45900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.147,1.99],
    "number_observations_unique": 121038,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.57
      },
      {
        "type": "Completeness",
        "value": 95.13
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.12],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.45,2.27],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.68,2.45],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [2.99,2.68],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [3.46,2.99],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [4.23,3.46],
      "quality_factors": [

      ]
    },
    {
      "resolution_limits": [5.95,4.23],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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