Data quality metrics extracted from 4qt9.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": "8ee18fd958b69c3b95d50466093ca75a",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 117.925,
    "b": 80.728,
    "c": 90.752,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97886,0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.614,2.05],
    "number_observations_unique": 54536,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.173
      },
      {
        "type": "I/SigI",
        "value": 7.010
      },
      {
        "type": "Completeness",
        "value": 98.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.120,2.050],
      "number_observations": 25793,
      "number_observations_unique": 4726,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.967
        },
        {
          "type": "R(meas)",
          "value": 1.069
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 90.400
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.120],
      "number_observations": 33118,
      "number_observations_unique": 5738,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.788
        },
        {
          "type": "R(meas)",
          "value": 0.867
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.210],
      "number_observations": 31053,
      "number_observations_unique": 5415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.670
        },
        {
          "type": "R(meas)",
          "value": 0.738
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.310],
      "number_observations": 30995,
      "number_observations_unique": 5355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.542
        },
        {
          "type": "R(meas)",
          "value": 0.596
        },
        {
          "type": "I/SigI",
          "value": 3.4
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.430],
      "number_observations": 31117,
      "number_observations_unique": 5386,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "R(meas)",
          "value": 0.459
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.780,2.580],
      "number_observations": 31740,
      "number_observations_unique": 5502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.342
        },
        {
          "type": "I/SigI",
          "value": 5.3
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.780],
      "number_observations": 31448,
      "number_observations_unique": 5492,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(meas)",
          "value": 0.232
        },
        {
          "type": "I/SigI",
          "value": 7.0
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.060],
      "number_observations": 31580,
      "number_observations_unique": 5523,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 10.4
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.400,3.500],
      "number_observations": 31397,
      "number_observations_unique": 5545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 14.8
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [47.614,4.400],
      "number_observations": 32021,
      "number_observations_unique": 5840,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 16.5
        },
        {
          "type": "Completeness",
          "value": 99.200
        }
      ]
    }
  ]

}
  

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


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