Data quality metrics extracted from 4n5l.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": "c3e265ba366a22e1cd6fc2566c6ebd8f",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 87.912,
    "b": 94.341,
    "c": 137.260,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [68.64,1.65],
    "number_observations_unique": 59854,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 30.0
      },
      {
        "type": "Completeness",
        "value": 87.2
      },
      {
        "type": "Redundancy",
        "value": 6.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 81.9
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.7
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.1
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.74],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.7
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.78],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.5
        }
      ]
    },
    {
      "resolution_limits": [1.86,1.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.6
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.86],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.1
        }
      ]
    },
    {
      "resolution_limits": [2.01,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.6
        }
      ]
    },
    {
      "resolution_limits": [2.08,2.01],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.4
        }
      ]
    },
    {
      "resolution_limits": [2.15,2.08],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.5
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.9
        }
      ]
    },
    {
      "resolution_limits": [2.34,2.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.5
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.5
        }
      ]
    },
    {
      "resolution_limits": [2.62,2.46],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.1
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.7
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.8
        }
      ]
    },
    {
      "resolution_limits": [3.55,3.11],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.8
        }
      ]
    },
    {
      "resolution_limits": [4.48,3.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.9
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 92.2
        }
      ]
    }
  ]

}
  

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


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