Data quality metrics extracted from 4i54.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": "d97642ecf3131377fb3547d5ec7e534e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 65.324,
    "b": 68.775,
    "c": 94.443,
    "alpha": 90.00,
    "beta": 90.89,
    "gamma": 90.00
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.432,2.205],
    "number_observations_unique": 40186,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.31,2.205],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 74.5
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.32],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.47],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.48],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.4
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.49],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.7
        }
      ]
    },
    {
      "resolution_limits": [4.92,4.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [6.96,4.93],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.3
        }
      ]
    },
    {
      "resolution_limits": [94.43,6.97],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.7
        }
      ]
    }
  ]

}
  

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


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