Data quality metrics extracted from 3r2s.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": "1c29e5ae705ecf036f440d034eb8d187",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 171.162,
    "b": 171.162,
    "c": 171.162,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.74010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.82,2.10],
    "number_observations_unique": 13093,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 32.9568
      },
      {
        "type": "Completeness",
        "value": 100.00
      },
      {
        "type": "Redundancy",
        "value": 37.18
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.10],
      "number_observations": 69991,
      "number_observations_unique": 1849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.76
        },
        {
          "type": "I/SigI",
          "value": 5.89
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 37.85
        }
      ]
    },
    {
      "resolution_limits": [2.35,2.21],
      "number_observations": 64777,
      "number_observations_unique": 1768,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.48
        },
        {
          "type": "I/SigI",
          "value": 9.27
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.64
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.35],
      "number_observations": 62947,
      "number_observations_unique": 1656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 14.02
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 38.01
        }
      ]
    },
    {
      "resolution_limits": [2.71,2.51],
      "number_observations": 58974,
      "number_observations_unique": 1559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.21
        },
        {
          "type": "I/SigI",
          "value": 19.90
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 37.83
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.71],
      "number_observations": 53375,
      "number_observations_unique": 1439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.12
        },
        {
          "type": "I/SigI",
          "value": 32.04
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 37.09
        }
      ]
    },
    {
      "resolution_limits": [3.32,2.97],
      "number_observations": 51304,
      "number_observations_unique": 1312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.08
        },
        {
          "type": "I/SigI",
          "value": 44.92
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 39.10
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.32],
      "number_observations": 42801,
      "number_observations_unique": 1173,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 61.31
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.49
        }
      ]
    },
    {
      "resolution_limits": [4.70,3.83],
      "number_observations": 37569,
      "number_observations_unique": 1017,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 76.12
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 36.94
        }
      ]
    },
    {
      "resolution_limits": [6.64,4.70],
      "number_observations": 28686,
      "number_observations_unique": 811,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 69.26
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 35.37
        }
      ]
    },
    {
      "resolution_limits": [98.82,6.64],
      "number_observations": 16410,
      "number_observations_unique": 509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.04
        },
        {
          "type": "I/SigI",
          "value": 77.47
        },
        {
          "type": "Completeness",
          "value": 99.85
        },
        {
          "type": "Redundancy",
          "value": 32.24
        }
      ]
    }
  ]

}
  

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


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