Data quality metrics extracted from 4i5b.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": "185b31d6a41a4b3253e3a1d3639924de",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 95.811,
    "b": 111.381,
    "c": 211.544,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.12],
    "number_observations_unique": 58717,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 91.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 70
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.19],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.27],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.32],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.37],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.63],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.81],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    },
    {
      "resolution_limits": [3.22,3.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    },
    {
      "resolution_limits": [3.42,3.22],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.42],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95
        }
      ]
    },
    {
      "resolution_limits": [4.05,3.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96
        }
      ]
    },
    {
      "resolution_limits": [4.64,4.05],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96
        }
      ]
    },
    {
      "resolution_limits": [5.85,4.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    },
    {
      "resolution_limits": [49.29,5.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    }
  ]

}
  

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


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