Data quality metrics extracted from 6qnq.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": "17b7141ae0838ed7ed03fe5b18ae867c",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 210.46,
    "b": 452.18,
    "c": 626.12,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000,3.35100,3.54200,3.53100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [226.090,3.5],
    "number_observations_unique": 719306,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.285
      },
      {
        "type": "I/SigI",
        "value": 7.13
      },
      {
        "type": "Completeness",
        "value": 96.7
      },
      {
        "type": "Redundancy",
        "value": 12.36
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.6,3.5],
      "number_observations_unique": 53168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.568
        },
        {
          "type": "I/SigI",
          "value": 1.98
        },
        {
          "type": "Completeness",
          "value": 88.9
        },
        {
          "type": "Redundancy",
          "value": 12.1
        }
      ]
    },
    {
      "resolution_limits": [4.77,4.65],
      "number_observations_unique": 42528,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.99
        },
        {
          "type": "Completeness",
          "value": 94.6
        }
      ]
    },
    {
      "resolution_limits": [4.56,4.44],
      "number_observations_unique": 49952,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.98
        },
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    },
    {
      "resolution_limits": [4.77,4.65],
      "number_observations_unique": 44772,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.96
        },
        {
          "type": "Completeness",
          "value": 92.0
        }
      ]
    },
    {
      "resolution_limits": [4.98,4.85],
      "number_observations_unique": 39133,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.99
        },
        {
          "type": "Completeness",
          "value": 98
        }
      ]
    }
  ]

}
  

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


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