Data quality metrics extracted from 3se5.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": "2d277471665deffd0534ddc7469cc13f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.945,
    "b": 65.031,
    "c": 75.995,
    "alpha": 90.00,
    "beta": 107.08,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.03,1.70],
    "number_observations_unique": 73865,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 9.8144
      },
      {
        "type": "Completeness",
        "value": 97.69
      },
      {
        "type": "Redundancy",
        "value": 4.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "number_observations": 36210,
      "number_observations_unique": 10470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "I/SigI",
          "value": 1.97
        },
        {
          "type": "Completeness",
          "value": 95.43
        },
        {
          "type": "Redundancy",
          "value": 3.46
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.79],
      "number_observations": 40209,
      "number_observations_unique": 10033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.28
        },
        {
          "type": "I/SigI",
          "value": 2.69
        },
        {
          "type": "Completeness",
          "value": 96.43
        },
        {
          "type": "Redundancy",
          "value": 4.01
        }
      ]
    },
    {
      "resolution_limits": [2.03,1.90],
      "number_observations": 38059,
      "number_observations_unique": 9464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 3.99
        },
        {
          "type": "Completeness",
          "value": 97.38
        },
        {
          "type": "Redundancy",
          "value": 4.02
        }
      ]
    },
    {
      "resolution_limits": [2.19,2.03],
      "number_observations": 36248,
      "number_observations_unique": 8928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.13
        },
        {
          "type": "I/SigI",
          "value": 5.50
        },
        {
          "type": "Completeness",
          "value": 97.95
        },
        {
          "type": "Redundancy",
          "value": 4.06
        }
      ]
    },
    {
      "resolution_limits": [2.40,2.19],
      "number_observations": 34352,
      "number_observations_unique": 8318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.10
        },
        {
          "type": "I/SigI",
          "value": 6.44
        },
        {
          "type": "Completeness",
          "value": 98.45
        },
        {
          "type": "Redundancy",
          "value": 4.13
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.40],
      "number_observations": 31205,
      "number_observations_unique": 7496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.09
        },
        {
          "type": "I/SigI",
          "value": 7.39
        },
        {
          "type": "Completeness",
          "value": 98.57
        },
        {
          "type": "Redundancy",
          "value": 4.16
        }
      ]
    },
    {
      "resolution_limits": [3.10,2.69],
      "number_observations": 27643,
      "number_observations_unique": 6644,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.06
        },
        {
          "type": "I/SigI",
          "value": 10.17
        },
        {
          "type": "Completeness",
          "value": 98.98
        },
        {
          "type": "Redundancy",
          "value": 4.16
        }
      ]
    },
    {
      "resolution_limits": [3.80,3.10],
      "number_observations": 23525,
      "number_observations_unique": 5663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.05
        },
        {
          "type": "I/SigI",
          "value": 12.08
        },
        {
          "type": "Completeness",
          "value": 99.12
        },
        {
          "type": "Redundancy",
          "value": 4.15
        }
      ]
    },
    {
      "resolution_limits": [5.38,3.80],
      "number_observations": 18250,
      "number_observations_unique": 4406,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 17.53
        },
        {
          "type": "Completeness",
          "value": 99.38
        },
        {
          "type": "Redundancy",
          "value": 4.14
        }
      ]
    },
    {
      "resolution_limits": [37.03,5.38],
      "number_observations": 9835,
      "number_observations_unique": 2443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 20.86
        },
        {
          "type": "Completeness",
          "value": 98.25
        },
        {
          "type": "Redundancy",
          "value": 4.03
        }
      ]
    }
  ]

}
  

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


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