Data quality metrics extracted from 3q5p.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": "aac223c8938d23e896ce20bb3eb35f23",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 106.676,
    "b": 106.676,
    "c": 146.165,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.942],
    "number_observations_unique": 17789,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.060,2.950],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 68.200
        }
      ]
    },
    {
      "resolution_limits": [3.180,3.060],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.100
        }
      ]
    },
    {
      "resolution_limits": [3.320,3.180],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.320],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.720,3.500],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.720],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.410,4.000],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [5.040,4.410],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [6.350,5.040],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [50.000,6.350],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.500
        }
      ]
    }
  ]

}
  

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


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