Data quality metrics extracted from 4r9u.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": "b5890ee61a8255709f34e75a655a190f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 372.85,
    "b": 113.21,
    "c": 69.43,
    "alpha": 90.00,
    "beta": 94.92,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,2.785],
    "number_observations_unique": 49823,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 88.6
      },
      {
        "type": "Redundancy",
        "value": 8.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 41.5
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 53.5
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 61.9
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.98],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 70.8
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 79.9
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.2
        }
      ]
    },
    {
      "resolution_limits": [3.30,3.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.3
        }
      ]
    },
    {
      "resolution_limits": [3.41,3.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [3.53,3.41],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.9
        }
      ]
    },
    {
      "resolution_limits": [3.67,3.53],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.67],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.04,3.83],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.29,4.04],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.62,4.29],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [5.08,4.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [5.81,5.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [7.30,5.81],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [30.00,7.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    }
  ]

}
  

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


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