Data quality metrics extracted from 5obm.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": "7dccd4c1eeabe84205023aeeec018095",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 436.63,
    "b": 287.00,
    "c": 304.73,
    "alpha": 90.00,
    "beta": 99.08,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [143.721,3.400],
    "number_observations_unique": 1013190,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.297
      },
      {
        "type": "R(meas)",
        "value": 0.308
      },
      {
        "type": "I/SigI",
        "value": 9.210
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 15.171
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.500,3.400],
      "number_observations_unique": 83925,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.554
        },
        {
          "type": "R(meas)",
          "value": 1.751
        },
        {
          "type": "I/SigI",
          "value": 0.980
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.683
        },
        {
          "type": "CC(1/2)",
          "value": 0.355
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.500],
      "number_observations_unique": 75016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.602
        },
        {
          "type": "R(meas)",
          "value": 1.661
        },
        {
          "type": "I/SigI",
          "value": 1.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.290
        },
        {
          "type": "CC(1/2)",
          "value": 0.650
        }
      ]
    },
    {
      "resolution_limits": [3.700,3.600],
      "number_observations_unique": 67266,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.346
        },
        {
          "type": "R(meas)",
          "value": 1.389
        },
        {
          "type": "I/SigI",
          "value": 2.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.473
        },
        {
          "type": "CC(1/2)",
          "value": 0.765
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.700],
      "number_observations_unique": 60322,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.056
        },
        {
          "type": "R(meas)",
          "value": 1.090
        },
        {
          "type": "I/SigI",
          "value": 3.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.800],
      "number_observations_unique": 54312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.857
        },
        {
          "type": "R(meas)",
          "value": 0.885
        },
        {
          "type": "I/SigI",
          "value": 3.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.674
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.900],
      "number_observations_unique": 49014,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.730
        },
        {
          "type": "R(meas)",
          "value": 0.753
        },
        {
          "type": "I/SigI",
          "value": 4.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.639
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    },
    {
      "resolution_limits": [4.500,4.000],
      "number_observations_unique": 185010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.493
        },
        {
          "type": "R(meas)",
          "value": 0.508
        },
        {
          "type": "I/SigI",
          "value": 6.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.330
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.500],
      "number_observations_unique": 118417,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        },
        {
          "type": "R(meas)",
          "value": 0.316
        },
        {
          "type": "I/SigI",
          "value": 9.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.206
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [7.500,5.000],
      "number_observations_unique": 224575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 14.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [10.000,7.500],
      "number_observations_unique": 54927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.113
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 24.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.228
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [25.000,10.000],
      "number_observations_unique": 37819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 33.450
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.940
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.000,25.000],
      "number_observations_unique": 2321,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.053
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 44.100
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 15.957
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [75.000,50.000],
      "number_observations_unique": 223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 37.420
        },
        {
          "type": "Completeness",
          "value": 90.700
        },
        {
          "type": "Redundancy",
          "value": 10.978
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [100.000,75.000],
      "number_observations_unique": 37,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 27.150
        },
        {
          "type": "Completeness",
          "value": 60.700
        },
        {
          "type": "Redundancy",
          "value": 6.027
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [105.000,100.000],
      "number_observations_unique": 6,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "R(meas)",
          "value": 0.202
        },
        {
          "type": "I/SigI",
          "value": 11.670
        },
        {
          "type": "Completeness",
          "value": 85.700
        },
        {
          "type": "Redundancy",
          "value": 2.000
        }
      ]
    },
    {
      "resolution_limits": [143.721,105.000],
      "quality_factors": [

      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 143.721 143.721 3.600
High resolution limit [Å] 3.400 105.000 3.500
R(merge) 0.2970 - 1.6020
R(meas) 0.3080 - 1.6610
CC(1/2) 0.995 - 0.650
Completeness [%] 99.9 - 100.0
Multiplicity 15.2 - 14.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
143.721-105.000 - - - - -
105.000-100.000 0.1490 0.2020 - 85.7 2.0
100.000-75.000 0.0730 0.0810 0.988 60.7 6.0
75.000-50.000 0.0570 0.0600 0.997 90.7 11.0
50.000-25.000 0.0530 0.0550 0.999 99.6 16.0
25.000-10.000 0.0750 0.0780 0.998 100.0 15.9
10.000-7.500 0.1130 0.1170 0.997 100.0 16.2
7.500-5.000 0.2010 0.2080 0.992 100.0 16.4
5.000-4.500 0.3060 0.3160 0.983 100.0 16.2
4.500-4.000 0.4930 0.5080 0.961 100.0 16.3
4.000-3.900 0.7300 0.7530 0.917 100.0 16.6
3.900-3.800 0.8570 0.8850 0.883 100.0 15.7
3.800-3.700 1.0560 1.0900 0.838 100.0 16.1
3.700-3.600 1.3460 1.3890 0.765 100.0 16.5
3.600-3.500 1.6020 1.6610 0.650 100.0 14.3
3.500-3.400 1.5540 1.7510 0.355 99.6 4.7