Data quality metrics extracted from 3uwn.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": "05db4b596382f2e678e0044daed02837",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 85.774,
    "b": 94.530,
    "c": 58.955,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.58,2.15],
    "number_observations_unique": 26687,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "I/SigI",
        "value": 15.0444
      },
      {
        "type": "Completeness",
        "value": 99.75
      },
      {
        "type": "Redundancy",
        "value": 6.49
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.15],
      "number_observations": 20941,
      "number_observations_unique": 3815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.90
        },
        {
          "type": "Completeness",
          "value": 99.29
        },
        {
          "type": "Redundancy",
          "value": 5.49
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.27],
      "number_observations": 21249,
      "number_observations_unique": 3601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.70
        },
        {
          "type": "Completeness",
          "value": 99.75
        },
        {
          "type": "Redundancy",
          "value": 5.90
        }
      ]
    },
    {
      "resolution_limits": [2.57,2.40],
      "number_observations": 21934,
      "number_observations_unique": 3448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "Completeness",
          "value": 99.87
        },
        {
          "type": "Redundancy",
          "value": 6.36
        }
      ]
    },
    {
      "resolution_limits": [2.78,2.57],
      "number_observations": 21433,
      "number_observations_unique": 3185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "Completeness",
          "value": 99.85
        },
        {
          "type": "Redundancy",
          "value": 6.73
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.78],
      "number_observations": 20647,
      "number_observations_unique": 2966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 6.96
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.04],
      "number_observations": 18847,
      "number_observations_unique": 2682,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.03
        }
      ]
    },
    {
      "resolution_limits": [3.93,3.40],
      "number_observations": 16858,
      "number_observations_unique": 2409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "Completeness",
          "value": 99.96
        },
        {
          "type": "Redundancy",
          "value": 7.00
        }
      ]
    },
    {
      "resolution_limits": [4.81,3.93],
      "number_observations": 14207,
      "number_observations_unique": 2033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.88
        },
        {
          "type": "Redundancy",
          "value": 6.99
        }
      ]
    },
    {
      "resolution_limits": [6.80,4.81],
      "number_observations": 11080,
      "number_observations_unique": 1614,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "Completeness",
          "value": 99.86
        },
        {
          "type": "Redundancy",
          "value": 6.86
        }
      ]
    },
    {
      "resolution_limits": [29.58,6.80],
      "number_observations": 5881,
      "number_observations_unique": 934,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.02
        },
        {
          "type": "Completeness",
          "value": 98.32
        },
        {
          "type": "Redundancy",
          "value": 6.30
        }
      ]
    }
  ]

}
  

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


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