Data quality metrics extracted from 3qnk.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": "8999ab8a69c85746d08d36d3e23edaac",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 146.653,
    "b": 146.653,
    "c": 226.178,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.95370,0.97950,0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.898,2.70],
    "number_observations_unique": 77918,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.152
      },
      {
        "type": "I/SigI",
        "value": 9.990
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 11.07
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.810,2.710],
      "number_observations": 89055,
      "number_observations_unique": 15412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.920,2.810],
      "number_observations": 84500,
      "number_observations_unique": 14616,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.920],
      "number_observations": 84767,
      "number_observations_unique": 14652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.050],
      "number_observations": 86330,
      "number_observations_unique": 14916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.410,3.210],
      "number_observations": 86606,
      "number_observations_unique": 14971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 5.4
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.670,3.410],
      "number_observations": 85533,
      "number_observations_unique": 14844,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 8.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.040,3.670],
      "number_observations": 87150,
      "number_observations_unique": 15141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 12.4
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.620,4.040],
      "number_observations": 86167,
      "number_observations_unique": 14977,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 17.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.800,4.620],
      "number_observations": 85328,
      "number_observations_unique": 14935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 19.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [29.898,5.800],
      "number_observations": 86945,
      "number_observations_unique": 15211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.511
        },
        {
          "type": "I/SigI",
          "value": 26.6
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    }
  ]

}
  

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


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