Data quality metrics extracted from 4qk2.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": "90972064f7d7282851657197f2ec35f3",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.235,
    "b": 41.082,
    "c": 71.912,
    "alpha": 90.0,
    "beta": 104.3,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,1.519],
    "number_observations_unique": 33910,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.293
      },
      {
        "type": "I/SigI",
        "value": 25.8
      },
      {
        "type": "Completeness",
        "value": 91.6
      },
      {
        "type": "Redundancy",
        "value": 7.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.519],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 86.3
        },
        {
          "type": "Redundancy",
          "value": 7.7
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.57],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.4
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.64],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 88.4
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 89.4
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.80],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 90.7
        }
      ]
    },
    {
      "resolution_limits": [2.06,1.91],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.9
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.06],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.0
        }
      ]
    },
    {
      "resolution_limits": [2.60,2.27],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.4
        }
      ]
    },
    {
      "resolution_limits": [3.27,2.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.8
        }
      ]
    },
    {
      "resolution_limits": [20.0,3.27],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    }
  ]

}
  

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


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