Data quality metrics extracted from 3ow8.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": "45d362583b7f72f3bba4e3cce6ed264c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.544,
    "b": 72.922,
    "c": 81.514,
    "alpha": 114.34,
    "beta": 96.44,
    "gamma": 90.12
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,2.300],
    "number_observations_unique": 58481,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 9.89
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.340,2.300],
      "number_observations_unique": 2898,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.865
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 1.800
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.340],
      "number_observations_unique": 2882,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.781
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 1.800
        }
      ]
    },
    {
      "resolution_limits": [2.430,2.380],
      "number_observations_unique": 2905,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.735
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 1.800
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.430],
      "number_observations_unique": 2894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.635
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.480],
      "number_observations_unique": 2913,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.582
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.530],
      "number_observations_unique": 2931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.564
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.590],
      "number_observations_unique": 2902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.444
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.730,2.660],
      "number_observations_unique": 2918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.810,2.730],
      "number_observations_unique": 2970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.324
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.810],
      "number_observations_unique": 2886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.900],
      "number_observations_unique": 2923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.198
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.000],
      "number_observations_unique": 2963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.120],
      "number_observations_unique": 2929,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.260],
      "number_observations_unique": 2918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.440],
      "number_observations_unique": 2950,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [3.930,3.650],
      "number_observations_unique": 2936,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [4.330,3.930],
      "number_observations_unique": 2952,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [4.950,4.330],
      "number_observations_unique": 2947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [6.240,4.950],
      "number_observations_unique": 2937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 1.900
        }
      ]
    },
    {
      "resolution_limits": [40.000,6.240],
      "number_observations_unique": 2927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 40.000 40.000 2.380
High resolution limit [Å] 2.300 6.240 2.340
R(merge) 0.1060 0.0460 0.7810
Completeness [%] 97.8 97.7 96.8
Multiplicity 1.9 2.0 1.8


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
40.000-6.240 0.0460 97.7 2.0
6.240-4.950 0.0480 98.9 1.9
4.950-4.330 0.0420 98.5 1.9
4.330-3.930 0.0550 98.5 1.9
3.930-3.650 0.0680 98.3 1.9
3.650-3.440 0.0790 98.5 1.9
3.440-3.260 0.1040 98.2 1.9
3.260-3.120 0.1320 98.2 1.9
3.120-3.000 0.1740 98.2 1.9
3.000-2.900 0.1980 98.2 1.9
2.900-2.810 0.2650 98.0 1.9
2.810-2.730 0.3240 98.1 1.9
2.730-2.660 0.3740 97.6 1.9
2.660-2.590 0.4440 97.5 1.9
2.590-2.530 0.5640 97.5 1.9
2.530-2.480 0.5820 97.4 1.9
2.480-2.430 0.6350 97.3 1.9
2.430-2.380 0.7350 96.9 1.8
2.380-2.340 0.7810 96.8 1.8
2.340-2.300 0.8650 96.0 1.8