Data quality metrics extracted from 3r2o.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": "50d5438c01fba7870886fe2ec12d10be",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 171.339,
    "b": 171.339,
    "c": 171.339,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.74010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.92,1.95],
    "number_observations_unique": 16285,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 30.1954
      },
      {
        "type": "Completeness",
        "value": 100.00
      },
      {
        "type": "Redundancy",
        "value": 36.55
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,1.95],
      "number_observations": 79560,
      "number_observations_unique": 2303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.85
        },
        {
          "type": "I/SigI",
          "value": 4.88
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 34.55
        }
      ]
    },
    {
      "resolution_limits": [2.18,2.06],
      "number_observations": 80159,
      "number_observations_unique": 2198,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43
        },
        {
          "type": "I/SigI",
          "value": 9.94
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.47
        }
      ]
    },
    {
      "resolution_limits": [2.33,2.18],
      "number_observations": 75821,
      "number_observations_unique": 2069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 15.16
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.65
        }
      ]
    },
    {
      "resolution_limits": [2.52,2.33],
      "number_observations": 73309,
      "number_observations_unique": 1933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 21.83
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 37.92
        }
      ]
    },
    {
      "resolution_limits": [2.76,2.52],
      "number_observations": 67044,
      "number_observations_unique": 1794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 29.16
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 37.37
        }
      ]
    },
    {
      "resolution_limits": [3.08,2.76],
      "number_observations": 62434,
      "number_observations_unique": 1643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 41.36
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 38.00
        }
      ]
    },
    {
      "resolution_limits": [3.56,3.08],
      "number_observations": 55248,
      "number_observations_unique": 1456,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
          "value": 53.58
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 37.95
        }
      ]
    },
    {
      "resolution_limits": [4.36,3.56],
      "number_observations": 44706,
      "number_observations_unique": 1258,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 64.69
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 35.54
        }
      ]
    },
    {
      "resolution_limits": [6.17,4.36],
      "number_observations": 36970,
      "number_observations_unique": 1009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 64.99
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.64
        }
      ]
    },
    {
      "resolution_limits": [98.92,6.17],
      "number_observations": 19992,
      "number_observations_unique": 622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 64.02
        },
        {
          "type": "Completeness",
          "value": 99.92
        },
        {
          "type": "Redundancy",
          "value": 32.14
        }
      ]
    }
  ]

}
  

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


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