Data quality metrics extracted from 4pqc.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": "52ba84eabf831504281390ac0c006fbe",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 39.808,
    "b": 48.055,
    "c": 77.210,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.65,1.50],
    "number_observations_unique": 22589,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 9.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.484
        },
        {
          "type": "Completeness",
          "value": 94.9
        }
      ]
    },
    {
      "resolution_limits": [1.58,1.53],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.8
        }
      ]
    },
    {
      "resolution_limits": [1.65,1.58],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.5
        }
      ]
    },
    {
      "resolution_limits": [1.73,1.65],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.1
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.73],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.7
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.83],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.3
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.96],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.1
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.13],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.5
        }
      ]
    },
    {
      "resolution_limits": [2.82,2.38],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [4.07,2.82],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.8
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.07],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.2
        }
      ]
    }
  ]

}
  

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


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