Data quality metrics extracted from 4r73.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": "32408c64a4f4733928ddeb7a22276531",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.53,
    "b": 95.32,
    "c": 152.10,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.596,1.60],
    "number_observations_unique": 83626,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.67,1.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.5
        }
      ]
    },
    {
      "resolution_limits": [1.72,1.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.1
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.72],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [1.92,1.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.92],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [2.11,2.01],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.22],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.36],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [2.72,2.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.72],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.33,2.98],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [3.85,3.33],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [4.71,3.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [6.66,4.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    },
    {
      "resolution_limits": [39.5,6.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    }
  ]

}
  

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


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