Data quality metrics extracted from 2g36.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": "96f284543c7a3a1acc4336a163a8727a",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 122.89,
    "b": 152.73,
    "c": 53.07,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.64,2.500],
    "number_observations_unique": 17636,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 8.820
      },
      {
        "type": "Completeness",
        "value": 91.400
      },
      {
        "type": "Redundancy",
        "value": 1.93
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.59,2.50],
      "number_observations": 5268,
      "number_observations_unique": 2773,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 97.9
        },
        {
          "type": "Redundancy",
          "value": 1.86
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.59],
      "number_observations": 5461,
      "number_observations_unique": 2750,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "I/SigI",
          "value": 2.3
        }
      ]
    },
    {
      "resolution_limits": [2.81,2.69],
      "number_observations": 5606,
      "number_observations_unique": 2829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 3.0
        }
      ]
    },
    {
      "resolution_limits": [2.96,2.81],
      "number_observations": 5910,
      "number_observations_unique": 2982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "I/SigI",
          "value": 3.7
        }
      ]
    },
    {
      "resolution_limits": [3.15,2.96],
      "number_observations": 6088,
      "number_observations_unique": 3106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [3.39,3.15],
      "number_observations": 6052,
      "number_observations_unique": 3099,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 7.0
        }
      ]
    },
    {
      "resolution_limits": [3.73,3.39],
      "number_observations": 6298,
      "number_observations_unique": 3224,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 10.5
        }
      ]
    },
    {
      "resolution_limits": [4.26,3.73],
      "number_observations": 6335,
      "number_observations_unique": 3264,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "I/SigI",
          "value": 14.5
        }
      ]
    },
    {
      "resolution_limits": [29.64,4.26],
      "number_observations": 6391,
      "number_observations_unique": 3262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 16.7
        }
      ]
    }
  ]

}
  

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


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