Data quality metrics extracted from 3ggd.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": "8e3ad642792ead99dd3fed3273224b22",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 112.52,
    "b": 112.52,
    "c": 112.56,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.94645,0.97967],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.083,2.11],
    "number_observations_unique": 42096,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.221
      },
      {
        "type": "I/SigI",
        "value": 11.000
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 17.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.19,2.11],
      "number_observations": 64498,
      "number_observations_unique": 8394,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.53
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    },
    {
      "resolution_limits": [2.27,2.19],
      "number_observations": 54873,
      "number_observations_unique": 7150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.15
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 99.40
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.27],
      "number_observations": 64861,
      "number_observations_unique": 8442,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.91
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 99.70
        }
      ]
    },
    {
      "resolution_limits": [2.50,2.38],
      "number_observations": 58989,
      "number_observations_unique": 7574,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.67
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    },
    {
      "resolution_limits": [2.66,2.50],
      "number_observations": 72014,
      "number_observations_unique": 8105,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.81
        },
        {
          "type": "I/SigI",
          "value": 6.3
        },
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    },
    {
      "resolution_limits": [2.86,2.66],
      "number_observations": 75514,
      "number_observations_unique": 7751,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.65
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.86],
      "number_observations": 87968,
      "number_observations_unique": 7989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.53
        },
        {
          "type": "I/SigI",
          "value": 12.2
        },
        {
          "type": "Completeness",
          "value": 99.60
        }
      ]
    },
    {
      "resolution_limits": [3.60,3.15],
      "number_observations": 88970,
      "number_observations_unique": 7903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32
        },
        {
          "type": "I/SigI",
          "value": 17.8
        },
        {
          "type": "Completeness",
          "value": 99.90
        }
      ]
    },
    {
      "resolution_limits": [4.53,3.60],
      "number_observations": 90866,
      "number_observations_unique": 7956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.15
        },
        {
          "type": "I/SigI",
          "value": 24.2
        },
        {
          "type": "Completeness",
          "value": 99.80
        }
      ]
    },
    {
      "resolution_limits": [30.083,4.53],
      "number_observations": 93659,
      "number_observations_unique": 8021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 27.8
        },
        {
          "type": "Completeness",
          "value": 99.50
        }
      ]
    }
  ]

}
  

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


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