Data quality metrics extracted from 4gqr.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": "8b05e4b6f88b588b8b0650e7ae45e978",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 52.129,
    "b": 67.373,
    "c": 129.929,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.31,1.20],
    "number_observations_unique": 140097,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 4.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [1.34,1.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [1.43,1.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [1.55,1.43],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [2.19,1.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.19],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.79,2.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [43.31,3.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.5
        }
      ]
    }
  ]

}
  

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


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