Data quality metrics extracted from 3uch.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": "0bbc69f2e8ecd14c5d3a9aa9e760868b",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 116.232,
    "b": 116.232,
    "c": 116.232,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97894],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.058,2.50],
    "number_observations_unique": 9184,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "I/SigI",
        "value": 17.200
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 23.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.570,2.500],
      "number_observations": 7119,
      "number_observations_unique": 593,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.801
        },
        {
          "type": "I/SigI",
          "value": 2.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.000
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.570],
      "number_observations": 15292,
      "number_observations_unique": 646,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.168
        },
        {
          "type": "I/SigI",
          "value": 4.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.700
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.640],
      "number_observations": 15869,
      "number_observations_unique": 655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.024
        },
        {
          "type": "I/SigI",
          "value": 5.1
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.710],
      "number_observations": 15157,
      "number_observations_unique": 622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.677
        },
        {
          "type": "I/SigI",
          "value": 6.5
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.400
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.800],
      "number_observations": 14774,
      "number_observations_unique": 608,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 9.0
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.300
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.890],
      "number_observations": 14302,
      "number_observations_unique": 590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 10.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.990],
      "number_observations": 13458,
      "number_observations_unique": 555,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 12.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.100],
      "number_observations": 13203,
      "number_observations_unique": 543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "I/SigI",
          "value": 16.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.300
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.230],
      "number_observations": 12710,
      "number_observations_unique": 526,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.188
        },
        {
          "type": "I/SigI",
          "value": 19.8
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.370],
      "number_observations": 12008,
      "number_observations_unique": 499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "I/SigI",
          "value": 22.2
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.100
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.540],
      "number_observations": 11624,
      "number_observations_unique": 481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "I/SigI",
          "value": 24.6
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.200
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.730],
      "number_observations": 10920,
      "number_observations_unique": 457,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 26.1
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.900
        }
      ]
    },
    {
      "resolution_limits": [4.230,3.950],
      "number_observations": 10260,
      "number_observations_unique": 428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 27.9
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.000
        }
      ]
    },
    {
      "resolution_limits": [4.570,4.230],
      "number_observations": 9540,
      "number_observations_unique": 399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 31.0
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.900
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.570],
      "number_observations": 8793,
      "number_observations_unique": 373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 31.3
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.600
        }
      ]
    },
    {
      "resolution_limits": [5.590,5.000],
      "number_observations": 7858,
      "number_observations_unique": 333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 30.0
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.600
        }
      ]
    },
    {
      "resolution_limits": [6.460,5.590],
      "number_observations": 6904,
      "number_observations_unique": 296,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 29.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.300
        }
      ]
    },
    {
      "resolution_limits": [7.910,6.460],
      "number_observations": 6040,
      "number_observations_unique": 263,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 30.7
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.000
        }
      ]
    },
    {
      "resolution_limits": [11.180,7.910],
      "number_observations": 4577,
      "number_observations_unique": 203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "I/SigI",
          "value": 34.5
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 22.500
        }
      ]
    },
    {
      "resolution_limits": [29.058,11.180],
      "number_observations": 2303,
      "number_observations_unique": 114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "I/SigI",
          "value": 31.4
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 20.200
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.058 29.058 2.640
High resolution limit [Å] 2.500 11.180 2.570
R(merge) 0.1490 0.0890 1.1680
Completeness [%] 99.9 94.2 100.0
Multiplicity 23.2 20.2 23.7


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
29.058-11.180 0.0890 94.2 20.2
11.180-7.910 0.0880 100.0 22.5
7.910-6.460 0.1050 100.0 23.0
6.460-5.590 0.1140 100.0 23.3
5.590-5.000 0.1240 100.0 23.6
5.000-4.570 0.1160 100.0 23.6
4.570-4.230 0.0990 100.0 23.9
4.230-3.950 0.1130 100.0 24.0
3.950-3.730 0.1140 100.0 23.9
3.730-3.540 0.1330 100.0 24.2
3.540-3.370 0.1510 100.0 24.1
3.370-3.230 0.1880 100.0 24.2
3.230-3.100 0.2210 100.0 24.3
3.100-2.990 0.2840 100.0 24.2
2.990-2.890 0.3450 100.0 24.2
2.890-2.800 0.4540 100.0 24.3
2.800-2.710 0.6770 100.0 24.4
2.710-2.640 1.0240 100.0 24.2
2.640-2.570 1.1680 100.0 23.7
2.570-2.500 0.8010 100.0 12.0