Data quality metrics extracted from 4f80.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": "7d4be531780961c807660cb4073b23f1",
  "space_group_name": "P 21 2 21",
  "unit_cell": {
    "a": 40.055,
    "b": 77.988,
    "c": 98.689,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.93],
    "number_observations_unique": 23011,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.9
        }
      ]
    },
    {
      "resolution_limits": [2.00,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.2
        }
      ]
    },
    {
      "resolution_limits": [2.04,2.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [2.12,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.4
        }
      ]
    },
    {
      "resolution_limits": [2.17,2.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [2.23,2.17],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.9
        }
      ]
    },
    {
      "resolution_limits": [2.29,2.23],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.8
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.43],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [2.74,2.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.5
        }
      ]
    },
    {
      "resolution_limits": [2.88,2.74],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [3.06,2.88],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.4
        }
      ]
    },
    {
      "resolution_limits": [3.30,3.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.0
        }
      ]
    },
    {
      "resolution_limits": [3.63,3.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.4
        }
      ]
    },
    {
      "resolution_limits": [4.16,3.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.8
        }
      ]
    },
    {
      "resolution_limits": [5.24,4.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.5
        }
      ]
    },
    {
      "resolution_limits": [50.0,5.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.8
        }
      ]
    }
  ]

}
  

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


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