Data quality metrics extracted from 5osu.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": "663be68274610e9aea5592c6cebf9798",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.555,
    "b": 46.066,
    "c": 62.803,
    "alpha": 90.00,
    "beta": 112.22,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.110,1.630],
    "number_observations_unique": 38919,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 16.880
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 10.930
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.650,1.630],
      "number_observations_unique": 1385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.670
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 4.660
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.650],
      "number_observations_unique": 1932,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.651
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.950
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.680],
      "number_observations_unique": 2405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.608
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.350
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.720],
      "number_observations_unique": 1658,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.559
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.790
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.750],
      "number_observations_unique": 2067,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.519
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.170
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.790],
      "number_observations_unique": 1883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.660
        }
      ]
    },
    {
      "resolution_limits": [1.880,1.830],
      "number_observations_unique": 2107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.320
        }
      ]
    },
    {
      "resolution_limits": [1.930,1.880],
      "number_observations_unique": 1896,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.350
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 8.380
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.930],
      "number_observations_unique": 2072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.304
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.010
        }
      ]
    },
    {
      "resolution_limits": [2.050,1.990],
      "number_observations_unique": 1815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.410
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.050],
      "number_observations_unique": 2106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.030
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.130],
      "number_observations_unique": 2018,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.185
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.920
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.220],
      "number_observations_unique": 1918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.060
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.320],
      "number_observations_unique": 1907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.136
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.170
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.440],
      "number_observations_unique": 2006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.400
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.600],
      "number_observations_unique": 1922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.700
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.800],
      "number_observations_unique": 1984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.640
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.090],
      "number_observations_unique": 1930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.290
        }
      ]
    },
    {
      "resolution_limits": [4.490,3.540],
      "number_observations_unique": 1961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.049
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 18.800
        }
      ]
    },
    {
      "resolution_limits": [6.770,4.490],
      "number_observations_unique": 1361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 21.270
        }
      ]
    },
    {
      "resolution_limits": [36.110,6.770],
      "number_observations_unique": 586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 20.520
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 36.110 36.110 1.680
High resolution limit [Å] 1.630 6.770 1.650
R(merge) 0.0890 0.0440 0.6510
Completeness [%] 99.9 99.3 100.0
Multiplicity 10.9 20.5 5.0


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
36.110-6.770 0.0440 99.3 20.5
6.770-4.490 0.0450 99.8 21.3
4.490-3.540 0.0490 100.0 18.8
3.540-3.090 0.0600 100.0 17.3
3.090-2.800 0.0760 100.0 16.6
2.800-2.600 0.0970 100.0 15.7
2.600-2.440 0.1160 100.0 14.4
2.440-2.320 0.1360 100.0 13.2
2.320-2.220 0.1570 100.0 13.1
2.220-2.130 0.1850 100.0 10.9
2.130-2.050 0.2040 100.0 10.0
2.050-1.990 0.2520 100.0 9.4
1.990-1.930 0.3040 100.0 9.0
1.930-1.880 0.3500 100.0 8.4
1.880-1.830 0.3850 100.0 7.3
1.830-1.790 0.4690 100.0 6.7
1.790-1.750 0.5190 100.0 6.2
1.750-1.720 0.5590 100.0 5.8
1.720-1.680 0.6080 100.0 5.4
1.680-1.650 0.6510 100.0 5.0
1.650-1.630 0.6700 98.7 4.7