Data quality metrics extracted from 3t4d.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": "d4dbffee11e05eec04e37d15f3a31d18",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 67.439,
    "b": 67.439,
    "c": 83.562,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.70],
    "number_observations_unique": 20479,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.7
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.73],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.83],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.87],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    }
  ]

}
  

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


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