Data quality metrics extracted from 4jq0.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": "2f441a4a1c4350aa228fbe0ce3103350",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 115.20,
    "b": 115.20,
    "c": 120.11,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.068,3.83],
    "number_observations_unique": 3705,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 40.58
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.87,3.8],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 13.2
        }
      ]
    },
    {
      "resolution_limits": [3.94,3.87],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 18.6
        }
      ]
    },
    {
      "resolution_limits": [4.01,3.94],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 18.1
        }
      ]
    },
    {
      "resolution_limits": [4.09,4.01],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 22.3
        }
      ]
    },
    {
      "resolution_limits": [4.18,4.09],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 22.5
        }
      ]
    },
    {
      "resolution_limits": [4.2,4.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 22.8
        }
      ]
    },
    {
      "resolution_limits": [4.39,4.2],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 24.8
        }
      ]
    },
    {
      "resolution_limits": [4.5,4.39],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 26.0
        }
      ]
    },
    {
      "resolution_limits": [4.64,4.5],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 28.4
        }
      ]
    },
    {
      "resolution_limits": [4.79,4.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 30.7
        }
      ]
    },
    {
      "resolution_limits": [4.96,4.79],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 35.6
        }
      ]
    },
    {
      "resolution_limits": [5.16,4.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 37.0
        }
      ]
    },
    {
      "resolution_limits": [5.39,5.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 41.1
        }
      ]
    },
    {
      "resolution_limits": [5.67,5.39],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 45.3
        }
      ]
    },
    {
      "resolution_limits": [6.03,5.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 55.8
        }
      ]
    },
    {
      "resolution_limits": [6.49,6.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 71.2
        }
      ]
    },
    {
      "resolution_limits": [7.15,6.49],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    },
    {
      "resolution_limits": [8.18,7.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [10.29,8.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [50,10.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    }
  ]

}
  

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


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