Data quality metrics extracted from 3dnz.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": "6879aaf0981ba98031d988d42b2e3c9d",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 92.535,
    "b": 92.535,
    "c": 128.628,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.93000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.137,1.198],
    "number_observations_unique": 89255,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.225
      },
      {
        "type": "I/SigI",
        "value": 3.100
      },
      {
        "type": "Completeness",
        "value": 84.000
      },
      {
        "type": "Redundancy",
        "value": 5.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations": 6073,
      "number_observations_unique": 4632,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.1
        },
        {
          "type": "Completeness",
          "value": 30.70
        },
        {
          "type": "Redundancy",
          "value": 1.30
        }
      ]
    },
    {
      "resolution_limits": [1.32,1.25],
      "number_observations": 21130,
      "number_observations_unique": 10380,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.1
        },
        {
          "type": "Completeness",
          "value": 71.90
        },
        {
          "type": "Redundancy",
          "value": 2.00
        }
      ]
    },
    {
      "resolution_limits": [1.41,1.32],
      "number_observations": 40187,
      "number_observations_unique": 11755,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.2
        },
        {
          "type": "Completeness",
          "value": 86.30
        },
        {
          "type": "Redundancy",
          "value": 3.40
        }
      ]
    },
    {
      "resolution_limits": [1.53,1.41],
      "number_observations": 71472,
      "number_observations_unique": 12508,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Completeness",
          "value": 98.50
        },
        {
          "type": "Redundancy",
          "value": 5.70
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.53],
      "number_observations": 81571,
      "number_observations_unique": 11745,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.90
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.67],
      "number_observations": 74207,
      "number_observations_unique": 10653,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.00
        }
      ]
    },
    {
      "resolution_limits": [2.16,1.87],
      "number_observations": 65716,
      "number_observations_unique": 9456,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.90
        }
      ]
    },
    {
      "resolution_limits": [2.64,2.16],
      "number_observations": 55592,
      "number_observations_unique": 8075,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.90
        }
      ]
    },
    {
      "resolution_limits": [3.74,2.64],
      "number_observations": 42448,
      "number_observations_unique": 6346,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 8.1
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 6.70
        }
      ]
    },
    {
      "resolution_limits": [38.26,3.74],
      "number_observations": 21695,
      "number_observations_unique": 3705,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 10.3
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 5.90
        }
      ]
    }
  ]

}
  

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


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