Data quality metrics extracted from 3qff.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": "25559322a2c1a4005dd8c8efeeb90750",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 57.421,
    "b": 82.089,
    "c": 166.768,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.9700,1.960],
    "number_observations_unique": 55699,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 14.430
      },
      {
        "type": "Completeness",
        "value": 97.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.080,1.960],
      "number_observations": 37758,
      "number_observations_unique": 7439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.816
        },
        {
          "type": "I/SigI",
          "value": 1.980
        },
        {
          "type": "Completeness",
          "value": 82.100
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.080],
      "number_observations": 70494,
      "number_observations_unique": 8596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.571
        },
        {
          "type": "I/SigI",
          "value": 4.260
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.220],
      "number_observations": 65498,
      "number_observations_unique": 7976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.352
        },
        {
          "type": "I/SigI",
          "value": 6.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.620,2.400],
      "number_observations": 60767,
      "number_observations_unique": 7408,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 10.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.620],
      "number_observations": 54711,
      "number_observations_unique": 6715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 15.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.380,2.930],
      "number_observations": 47915,
      "number_observations_unique": 5972,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 22.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.380],
      "number_observations": 39674,
      "number_observations_unique": 5100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 30.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [5.740,4.110],
      "number_observations": 30766,
      "number_observations_unique": 4042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 35.190
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [19.9700,5.740],
      "number_observations": 17617,
      "number_observations_unique": 2451,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 35.350
        },
        {
          "type": "Completeness",
          "value": 98.300
        }
      ]
    }
  ]

}
  

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


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