Data quality metrics extracted from 4kfv.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": "4e73ad9dabd60a53ab39d7c2a4063745",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 44.989,
    "b": 104.287,
    "c": 37.932,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,2.2],
    "number_observations_unique": 9540,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.76,2.94],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [4.74,3.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    },
    {
      "resolution_limits": [5.97,4.74],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [40,5.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    }
  ]

}
  

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


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