Data quality metrics extracted from 2gbb.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": "079d7a57462fa7a204758b41346ca172",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 89.01,
    "b": 144.09,
    "c": 116.63,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.100],
    "number_observations_unique": 43510,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.113
      },
      {
        "type": "I/SigI",
        "value": 8.200
      },
      {
        "type": "Completeness",
        "value": 99.400
      },
      {
        "type": "Redundancy",
        "value": 13.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.10],
      "number_observations_unique": 4106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        },
        {
          "type": "Redundancy",
          "value": 8.00
        }
      ]
    },
    {
      "resolution_limits": [2.26,2.18],
      "number_observations_unique": 4284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42
        },
        {
          "type": "Redundancy",
          "value": 10.40
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.26],
      "number_observations_unique": 4321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.35
        },
        {
          "type": "Redundancy",
          "value": 12.40
        }
      ]
    },
    {
      "resolution_limits": [2.49,2.37],
      "number_observations_unique": 4356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.289
        },
        {
          "type": "Redundancy",
          "value": 14.10
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.49],
      "number_observations_unique": 4339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.23
        },
        {
          "type": "Redundancy",
          "value": 14.50
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.65],
      "number_observations_unique": 4341,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.181
        },
        {
          "type": "Redundancy",
          "value": 14.50
        }
      ]
    },
    {
      "resolution_limits": [3.14,2.85],
      "number_observations_unique": 4380,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "Redundancy",
          "value": 14.40
        }
      ]
    },
    {
      "resolution_limits": [3.59,3.14],
      "number_observations_unique": 4375,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "Redundancy",
          "value": 14.30
        }
      ]
    },
    {
      "resolution_limits": [4.52,3.59],
      "number_observations_unique": 4417,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "Redundancy",
          "value": 14.00
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.52],
      "number_observations_unique": 4591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Redundancy",
          "value": 13.20
        }
      ]
    }
  ]

}
  

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


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