Data quality metrics extracted from 2qdn.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": "bf66cb2b75f90bb1bdd37842344b7410",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 52.923,
    "b": 71.514,
    "c": 70.188,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.74332],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.060,2.090],
    "number_observations_unique": 14872,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 27.300
      },
      {
        "type": "Completeness",
        "value": 90.300
      },
      {
        "type": "Redundancy",
        "value": 11.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.16,2.09],
      "number_observations_unique": 1611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "Completeness",
          "value": 52.90
        },
        {
          "type": "Redundancy",
          "value": 6.00
        }
      ]
    },
    {
      "resolution_limits": [2.25,2.16],
      "number_observations_unique": 2075,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 67.30
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.25],
      "number_observations_unique": 2702,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "Completeness",
          "value": 88.10
        },
        {
          "type": "Redundancy",
          "value": 8.90
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.35],
      "number_observations_unique": 3003,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 98.10
        },
        {
          "type": "Redundancy",
          "value": 11.70
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.48],
      "number_observations_unique": 3037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "Completeness",
          "value": 98.30
        },
        {
          "type": "Redundancy",
          "value": 12.20
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.63],
      "number_observations_unique": 3015,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 98.90
        },
        {
          "type": "Redundancy",
          "value": 12.20
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.84],
      "number_observations_unique": 3049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "Completeness",
          "value": 99.30
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    },
    {
      "resolution_limits": [3.57,3.12],
      "number_observations_unique": 3063,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 12.40
        }
      ]
    },
    {
      "resolution_limits": [4.50,3.57],
      "number_observations_unique": 3058,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 12.40
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.50],
      "number_observations_unique": 3081,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 12.30
        }
      ]
    }
  ]

}
  

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


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