Data quality metrics extracted from 3icz.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": "e92025fd415bebeabe85002b9abcdaa6",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 58.398,
    "b": 58.398,
    "c": 391.809,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97929],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.150],
    "number_observations_unique": 21604,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.096
      },
      {
        "type": "I/SigI",
        "value": 9.000
      },
      {
        "type": "Completeness",
        "value": 93.400
      },
      {
        "type": "Redundancy",
        "value": 10.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.15],
      "number_observations_unique": 1627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "Completeness",
          "value": 73.40
        },
        {
          "type": "Redundancy",
          "value": 5.00
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.23],
      "number_observations_unique": 2087,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "Completeness",
          "value": 93.30
        },
        {
          "type": "Redundancy",
          "value": 7.20
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.32],
      "number_observations_unique": 2218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "Completeness",
          "value": 99.00
        },
        {
          "type": "Redundancy",
          "value": 10.80
        }
      ]
    },
    {
      "resolution_limits": [2.55,2.42],
      "number_observations_unique": 2233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.206
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 12.70
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.55],
      "number_observations_unique": 2241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.182
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 13.80
        }
      ]
    },
    {
      "resolution_limits": [2.92,2.71],
      "number_observations_unique": 2271,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "Completeness",
          "value": 98.70
        },
        {
          "type": "Redundancy",
          "value": 13.60
        }
      ]
    },
    {
      "resolution_limits": [3.21,2.92],
      "number_observations_unique": 2144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "Completeness",
          "value": 94.50
        },
        {
          "type": "Redundancy",
          "value": 11.90
        }
      ]
    },
    {
      "resolution_limits": [3.68,3.21],
      "number_observations_unique": 2144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "Completeness",
          "value": 91.40
        },
        {
          "type": "Redundancy",
          "value": 9.60
        }
      ]
    },
    {
      "resolution_limits": [4.63,3.68],
      "number_observations_unique": 2092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 88.20
        },
        {
          "type": "Redundancy",
          "value": 7.80
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.63],
      "number_observations_unique": 2547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "Completeness",
          "value": 95.80
        },
        {
          "type": "Redundancy",
          "value": 11.50
        }
      ]
    }
  ]

}
  

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


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