Data quality metrics extracted from 4iw4.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": "56ac039df3430fff2a145e30753a0960",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 66.72,
    "b": 164.62,
    "c": 90.65,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93340,0.93300,0.97618,0.97624],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,3.2],
    "number_observations_unique": 16636,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.25,3.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.4
        }
      ]
    },
    {
      "resolution_limits": [20.0,10.],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    },
    {
      "resolution_limits": [10.0,6.0],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [6.0,4.0],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.5],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [3.3,3.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.3
        }
      ]
    }
  ]

}
  

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


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