Data quality metrics extracted from 4nd9.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": "46817747bad61f3a527285cdf5926da8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.702,
    "b": 64.155,
    "c": 101.123,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97929],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.30],
    "number_observations_unique": 12333,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 85.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.1
        }
      ]
    },
    {
      "resolution_limits": [50.00,6.24],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.9
        }
      ]
    },
    {
      "resolution_limits": [6.24,4.95],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.3
        }
      ]
    },
    {
      "resolution_limits": [4.95,4.33],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.5
        }
      ]
    },
    {
      "resolution_limits": [4.33,3.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 78.2
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.65],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 82.4
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.44],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.2
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.0
        }
      ]
    },
    {
      "resolution_limits": [3.26,3.12],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 84.5
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.0
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.90],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.6
        }
      ]
    },
    {
      "resolution_limits": [2.90,2.81],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.3
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.73],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.7
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.66],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.5
        }
      ]
    },
    {
      "resolution_limits": [2.66,2.59],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.7
        }
      ]
    },
    {
      "resolution_limits": [2.59,2.53],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.2
        }
      ]
    },
    {
      "resolution_limits": [2.53,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.7
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.43],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 86.1
        }
      ]
    },
    {
      "resolution_limits": [2.43,2.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.2
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.34],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.2
        }
      ]
    }
  ]

}
  

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


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