Data quality metrics extracted from 4i4b.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": "703aabfa8258ec5138f3469321f568cf",
  "space_group_name": "I 41 3 2",
  "unit_cell": {
    "a": 226.082,
    "b": 226.082,
    "c": 226.082,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.83,1.7],
    "number_observations_unique": 95482,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "I/SigI",
        "value": 25.9
      },
      {
        "type": "Completeness",
        "value": 96.4
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.2
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.83],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.14],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.31],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.54],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [3.66,2.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    },
    {
      "resolution_limits": [30,3.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.3
        }
      ]
    }
  ]

}
  

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


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