Data quality metrics extracted from 4qfq.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": "ce06ba706c5e3b62d85aa9ee1e5d546d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 34.798,
    "b": 48.694,
    "c": 75.686,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97622],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.52,2.035],
    "number_observations_unique": 8498,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.03],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.39
        }
      ]
    },
    {
      "resolution_limits": [2.974,2.358],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.78
        }
      ]
    },
    {
      "resolution_limits": [3.750,2.974],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.92
        }
      ]
    },
    {
      "resolution_limits": [4.727,3.750],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.64
        }
      ]
    },
    {
      "resolution_limits": [5.963,4.730],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.46
        }
      ]
    },
    {
      "resolution_limits": [7.522,5.966],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [9.486,7.526],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        }
      ]
    },
    {
      "resolution_limits": [26.517,9.506],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.01
        }
      ]
    }
  ]

}
  

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


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