Data quality metrics extracted from 2icx.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": "1754b39a423d645b17bbee8c5a1534b7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 187.683,
    "b": 59.679,
    "c": 89.813,
    "alpha": 90.00,
    "beta": 100.38,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70.481,1.85],
    "number_observations_unique": 83235,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0353
      },
      {
        "type": "I/SigI",
        "value": 23.9
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 14.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.9,1.85],
      "number_observations_unique": 6377,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3115
        },
        {
          "type": "I/SigI",
          "value": 3.19
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 5.09
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.9],
      "number_observations_unique": 5766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2469
        },
        {
          "type": "I/SigI",
          "value": 3.98
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.03
        }
      ]
    },
    {
      "resolution_limits": [2.0,1.95],
      "number_observations_unique": 5239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1916
        },
        {
          "type": "I/SigI",
          "value": 5.04
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.85
        }
      ]
    },
    {
      "resolution_limits": [2.05,2.0],
      "number_observations_unique": 4689,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1572
        },
        {
          "type": "I/SigI",
          "value": 6.06
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.67
        }
      ]
    },
    {
      "resolution_limits": [2.1,2.05],
      "number_observations_unique": 4237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1353
        },
        {
          "type": "I/SigI",
          "value": 7.01
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.10
        }
      ]
    },
    {
      "resolution_limits": [2.2,2.1],
      "number_observations_unique": 7447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1078
        },
        {
          "type": "I/SigI",
          "value": 8.77
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 11.19
        }
      ]
    },
    {
      "resolution_limits": [2.3,2.2],
      "number_observations_unique": 6098,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0784
        },
        {
          "type": "I/SigI",
          "value": 11.8
        },
        {
          "type": "Completeness",
          "value": 99.0
        }
      ]
    },
    {
      "resolution_limits": [2.4,2.3],
      "number_observations_unique": 5137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0627
        },
        {
          "type": "I/SigI",
          "value": 14.71
        },
        {
          "type": "Completeness",
          "value": 98.4
        }
      ]
    },
    {
      "resolution_limits": [2.5,2.4],
      "number_observations_unique": 4312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0488
        },
        {
          "type": "I/SigI",
          "value": 18.43
        },
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [2.65,2.5],
      "number_observations_unique": 5247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 22.21
        },
        {
          "type": "Completeness",
          "value": 97.3
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.65],
      "number_observations_unique": 5564,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0306
        },
        {
          "type": "I/SigI",
          "value": 27.87
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [3.1,2.85],
      "number_observations_unique": 5132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0225
        },
        {
          "type": "I/SigI",
          "value": 36.51
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.45,3.1],
      "number_observations_unique": 4899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0173
        },
        {
          "type": "I/SigI",
          "value": 46.96
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [4.0,3.45],
      "number_observations_unique": 4671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0143
        },
        {
          "type": "I/SigI",
          "value": 58.5
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [5.05,4.0],
      "number_observations_unique": 4211,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.013
        },
        {
          "type": "I/SigI",
          "value": 71.27
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [70.481,5.05],
      "number_observations_unique": 4209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 72.84
        },
        {
          "type": "Completeness",
          "value": 98.1
        }
      ]
    }
  ]

}
  

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


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