Data quality metrics extracted from 4nxn.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": "5296d78dcbff5f557ec1e58b38b77c54",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 403.064,
    "b": 403.064,
    "c": 173.452,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35,3.535],
    "number_observations_unique": 170381,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.68,3.535],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [3.82,3.68],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [35.00,7.62],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.8
        }
      ]
    },
    {
      "resolution_limits": [4.00,3.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [4.21,4.00],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [4.47,4.21],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [4.82,4.47],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [5.30,4.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    },
    {
      "resolution_limits": [6.06,5.30],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [7.62,6.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    }
  ]

}
  

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


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