Data quality metrics extracted from 4h36.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": "6141dfa252a96eaa80e77382e2778c60",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 84.58,
    "b": 84.58,
    "c": 127.06,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.17000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.126,3.000],
    "number_observations_unique": 10970,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 5.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.07,3.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.3
        }
      ]
    },
    {
      "resolution_limits": [3.16,3.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.2
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.16],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.4
        }
      ]
    },
    {
      "resolution_limits": [3.38,3.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.9
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.5
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.52],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.0
        }
      ]
    },
    {
      "resolution_limits": [3.87,3.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.87],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [4.43,4.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [4.87,4.43],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.7
        }
      ]
    },
    {
      "resolution_limits": [5.58,4.87],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [7.02,5.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [40.13,7.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    }
  ]

}
  

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


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