Data quality metrics extracted from 2gcd.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": "7182d71175d24d45f8ec3b3e3f1e38b6",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 186.019,
    "b": 186.019,
    "c": 94.641,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.000,2.550],
    "number_observations_unique": 31295,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "I/SigI",
        "value": 11.000
      },
      {
        "type": "Completeness",
        "value": 97.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.55],
      "number_observations_unique": 1354,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.58
        }
      ]
    },
    {
      "resolution_limits": [2.64,2.59],
      "number_observations_unique": 1482,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.576
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.64],
      "number_observations_unique": 1487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.478
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.69],
      "number_observations_unique": 1488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.397
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.75],
      "number_observations_unique": 1510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.81],
      "number_observations_unique": 1549,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.316
        }
      ]
    },
    {
      "resolution_limits": [2.94,2.87],
      "number_observations_unique": 1536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        }
      ]
    },
    {
      "resolution_limits": [3.02,2.94],
      "number_observations_unique": 1551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        }
      ]
    },
    {
      "resolution_limits": [3.11,3.02],
      "number_observations_unique": 1562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        }
      ]
    },
    {
      "resolution_limits": [3.21,3.11],
      "number_observations_unique": 1573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        }
      ]
    },
    {
      "resolution_limits": [3.33,3.21],
      "number_observations_unique": 1596,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        }
      ]
    },
    {
      "resolution_limits": [3.46,3.33],
      "number_observations_unique": 1575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.11
        }
      ]
    },
    {
      "resolution_limits": [3.62,3.46],
      "number_observations_unique": 1601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        }
      ]
    },
    {
      "resolution_limits": [3.81,3.62],
      "number_observations_unique": 1599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        }
      ]
    },
    {
      "resolution_limits": [4.04,3.81],
      "number_observations_unique": 1597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        }
      ]
    },
    {
      "resolution_limits": [4.35,4.04],
      "number_observations_unique": 1614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        }
      ]
    },
    {
      "resolution_limits": [4.79,4.35],
      "number_observations_unique": 1621,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        }
      ]
    },
    {
      "resolution_limits": [5.48,4.79],
      "number_observations_unique": 1628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        }
      ]
    },
    {
      "resolution_limits": [6.88,5.48],
      "number_observations_unique": 1652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        }
      ]
    },
    {
      "resolution_limits": [25.00,6.88],
      "number_observations_unique": 1720,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        }
      ]
    }
  ]

}
  

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


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