Data quality metrics extracted from 3q4o.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": "2dacda8168af9ed062523212d15ef39f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 51.915,
    "b": 79.122,
    "c": 93.869,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.34],
    "number_observations_unique": 40164,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 91.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 52.7
        }
      ]
    },
    {
      "resolution_limits": [1.44,1.39],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 77.8
        }
      ]
    },
    {
      "resolution_limits": [1.51,1.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.5
        }
      ]
    },
    {
      "resolution_limits": [1.59,1.51],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [1.69,1.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.69],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.89,2.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [50.00,2.89],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    }
  ]

}
  

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


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