Data quality metrics extracted from 4pqd.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": "48541916e7fdc19b1371551111d15d12",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 32.755,
    "b": 49.025,
    "c": 65.141,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.23,1.33],
    "number_observations_unique": 22664,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.36,1.33],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 54
        }
      ]
    },
    {
      "resolution_limits": [1.40,1.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 68
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.40],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 80
        }
      ]
    },
    {
      "resolution_limits": [1.48,1.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91
        }
      ]
    },
    {
      "resolution_limits": [1.54,1.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99
        }
      ]
    },
    {
      "resolution_limits": [1.60,1.54],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.87],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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