Data quality metrics extracted from 4pxx.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": "eca707efe0007763f9390db9a372719e",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 41.847,
    "b": 72.560,
    "c": 74.335,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.85],
    "number_observations_unique": 19081,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.0
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.8
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.0
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.1
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.6
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.19],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.33],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.0
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.51],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.4
        }
      ]
    },
    {
      "resolution_limits": [3.16,2.76],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [3.98,3.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    },
    {
      "resolution_limits": [20.0,3.98],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    }
  ]

}
  

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


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