Data quality metrics extracted from 4kav.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": "9517e209151622f1d17543ffadf0c2c4",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.696,
    "b": 44.923,
    "c": 50.179,
    "alpha": 70.26,
    "beta": 69.36,
    "gamma": 61.13
  },
  "wavelengths": [0.97884,0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,1.433],
    "number_observations_unique": 49289,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 18.1
      },
      {
        "type": "Completeness",
        "value": 92.2
      },
      {
        "type": "Redundancy",
        "value": 7.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.51,1.43],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 66.6
        }
      ]
    },
    {
      "resolution_limits": [1.6,1.51],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 94.7
        }
      ]
    },
    {
      "resolution_limits": [1.71,1.6],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    },
    {
      "resolution_limits": [1.85,1.71],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.85],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.6
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.02],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.26],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.9
        }
      ]
    },
    {
      "resolution_limits": [3.2,2.61],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [4.53,3.20],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [19.26,4.53],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    }
  ]

}
  

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


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