Data quality metrics extracted from 3i2o.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": "71d136684d2c0517ca45ebdee6fde73c",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 40.586,
    "b": 40.586,
    "c": 117.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97947],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.700],
    "number_observations_unique": 20972,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "I/SigI",
        "value": 6.300
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 8.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "number_observations_unique": 1027,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.877
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.30
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.73],
      "number_observations_unique": 1068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.675
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.30
        }
      ]
    },
    {
      "resolution_limits": [1.79,1.76],
      "number_observations_unique": 1025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.596
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.30
        }
      ]
    },
    {
      "resolution_limits": [1.83,1.79],
      "number_observations_unique": 1045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.508
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.83],
      "number_observations_unique": 1021,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.424
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.30
        }
      ]
    },
    {
      "resolution_limits": [1.91,1.87],
      "number_observations_unique": 1093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.353
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [1.96,1.91],
      "number_observations_unique": 1011,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.323
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [2.02,1.96],
      "number_observations_unique": 1061,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.07,2.02],
      "number_observations_unique": 1036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.07],
      "number_observations_unique": 1064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.22,2.14],
      "number_observations_unique": 1035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.172
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.31,2.22],
      "number_observations_unique": 1034,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.41,2.31],
      "number_observations_unique": 1068,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.41],
      "number_observations_unique": 1046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.54],
      "number_observations_unique": 1054,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.70],
      "number_observations_unique": 1054,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [3.20,2.91],
      "number_observations_unique": 1036,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.50
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.20],
      "number_observations_unique": 1067,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [4.61,3.66],
      "number_observations_unique": 1044,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.61],
      "number_observations_unique": 1083,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 8.30
        }
      ]
    }
  ]

}
  

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


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