Data quality metrics extracted from 3do5.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": "3af7cba1fb382eded06bea225ab9e59e",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 119.107,
    "b": 120.818,
    "c": 57.886,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.940,2.20],
    "number_observations_unique": 21542,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 5.400
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 7.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.20],
      "number_observations": 7519,
      "number_observations_unique": 1531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.520
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 4.90
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.26],
      "number_observations": 7712,
      "number_observations_unique": 1552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.392
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.00
        }
      ]
    },
    {
      "resolution_limits": [2.39,2.32],
      "number_observations": 7410,
      "number_observations_unique": 1503,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.347
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 4.90
        }
      ]
    },
    {
      "resolution_limits": [2.46,2.39],
      "number_observations": 7149,
      "number_observations_unique": 1435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.297
        },
        {
          "type": "I/SigI",
          "value": 2.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 5.00
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.46],
      "number_observations": 10934,
      "number_observations_unique": 1419,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.366
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 7.70
        }
      ]
    },
    {
      "resolution_limits": [2.63,2.54],
      "number_observations": 11858,
      "number_observations_unique": 1384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.313
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [2.73,2.63],
      "number_observations": 11278,
      "number_observations_unique": 1304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [2.84,2.73],
      "number_observations": 11037,
      "number_observations_unique": 1273,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "I/SigI",
          "value": 3.5
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.70
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.84],
      "number_observations": 10557,
      "number_observations_unique": 1221,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.159
        },
        {
          "type": "I/SigI",
          "value": 4.2
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [3.11,2.97],
      "number_observations": 10250,
      "number_observations_unique": 1183,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 4.4
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 8.70
        }
      ]
    },
    {
      "resolution_limits": [3.28,3.11],
      "number_observations": 9547,
      "number_observations_unique": 1111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [3.48,3.28],
      "number_observations": 8949,
      "number_observations_unique": 1045,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 5.8
        },
        {
          "type": "Completeness",
          "value": 99.90
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [3.72,3.48],
      "number_observations": 8636,
      "number_observations_unique": 1006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 99.80
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [4.02,3.72],
      "number_observations": 7976,
      "number_observations_unique": 930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 7.9
        },
        {
          "type": "Completeness",
          "value": 99.60
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [4.40,4.02],
      "number_observations": 7329,
      "number_observations_unique": 850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 9.3
        },
        {
          "type": "Completeness",
          "value": 99.50
        },
        {
          "type": "Redundancy",
          "value": 8.60
        }
      ]
    },
    {
      "resolution_limits": [4.92,4.40],
      "number_observations": 6647,
      "number_observations_unique": 787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 9.9
        },
        {
          "type": "Completeness",
          "value": 99.40
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [5.68,4.92],
      "number_observations": 5796,
      "number_observations_unique": 692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 9.3
        },
        {
          "type": "Completeness",
          "value": 99.10
        },
        {
          "type": "Redundancy",
          "value": 8.40
        }
      ]
    },
    {
      "resolution_limits": [6.96,5.68],
      "number_observations": 4727,
      "number_observations_unique": 588,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 9.1
        },
        {
          "type": "Completeness",
          "value": 98.90
        },
        {
          "type": "Redundancy",
          "value": 8.00
        }
      ]
    },
    {
      "resolution_limits": [9.84,6.96],
      "number_observations": 3489,
      "number_observations_unique": 463,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 10.2
        },
        {
          "type": "Completeness",
          "value": 98.50
        },
        {
          "type": "Redundancy",
          "value": 7.50
        }
      ]
    },
    {
      "resolution_limits": [28.96,9.84],
      "number_observations": 1609,
      "number_observations_unique": 265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 11.6
        },
        {
          "type": "Completeness",
          "value": 94.30
        },
        {
          "type": "Redundancy",
          "value": 6.10
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 28.940 28.960 2.320
High resolution limit [Å] 2.200 9.840 2.260
R(merge) 0.0870 0.0530 0.3920
Completeness [%] 99.7 94.3 100.0
Multiplicity 7.4 6.1 5.0


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
28.960-9.840 0.0530 94.3 6.1
9.840-6.960 0.0590 98.5 7.5
6.960-5.680 0.0720 98.9 8.0
5.680-4.920 0.0660 99.1 8.4
4.920-4.400 0.0600 99.4 8.4
4.400-4.020 0.0650 99.5 8.6
4.020-3.720 0.0760 99.6 8.6
3.720-3.480 0.0890 99.8 8.6
3.480-3.280 0.1080 99.9 8.6
3.280-3.110 0.1220 99.9 8.6
3.110-2.970 0.1510 99.9 8.7
2.970-2.840 0.1590 100.0 8.6
2.840-2.730 0.1950 100.0 8.7
2.730-2.630 0.2550 100.0 8.6
2.630-2.540 0.3130 100.0 8.6
2.540-2.460 0.3660 100.0 7.7
2.460-2.390 0.2970 100.0 5.0
2.390-2.320 0.3470 100.0 4.9
2.320-2.260 0.3920 100.0 5.0
2.260-2.200 0.5200 99.5 4.9