Data quality metrics extracted from 5p9v.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": "7ae360369abe7513c92c915fca08fda6",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.891,
    "b": 53.664,
    "c": 81.611,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.84,1.040],
    "number_observations": 1445207,
    "number_observations_unique": 105191,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.107
      },
      {
        "type": "R(meas)",
        "value": 0.111
      },
      {
        "type": "I/SigI",
        "value": 11.570
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 13.74
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.070,1.040],
      "number_observations": 103318,
      "number_observations_unique": 7652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.642
        },
        {
          "type": "R(meas)",
          "value": 2.747
        },
        {
          "type": "I/SigI",
          "value": 0.990
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.481
        }
      ]
    },
    {
      "resolution_limits": [1.100,1.070],
      "number_observations": 99380,
      "number_observations_unique": 7518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.006
        },
        {
          "type": "R(meas)",
          "value": 2.087
        },
        {
          "type": "I/SigI",
          "value": 1.350
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.610
        }
      ]
    },
    {
      "resolution_limits": [1.130,1.100],
      "number_observations": 95360,
      "number_observations_unique": 7292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.430
        },
        {
          "type": "R(meas)",
          "value": 1.489
        },
        {
          "type": "I/SigI",
          "value": 1.860
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [1.160,1.130],
      "number_observations": 100179,
      "number_observations_unique": 7109,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.154
        },
        {
          "type": "R(meas)",
          "value": 1.197
        },
        {
          "type": "I/SigI",
          "value": 2.460
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    },
    {
      "resolution_limits": [1.200,1.160],
      "number_observations": 96380,
      "number_observations_unique": 6860,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.981
        },
        {
          "type": "R(meas)",
          "value": 1.018
        },
        {
          "type": "I/SigI",
          "value": 2.940
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.861
        }
      ]
    },
    {
      "resolution_limits": [1.240,1.200],
      "number_observations": 92447,
      "number_observations_unique": 6680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.876
        },
        {
          "type": "R(meas)",
          "value": 0.910
        },
        {
          "type": "I/SigI",
          "value": 3.290
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [1.290,1.240],
      "number_observations": 84315,
      "number_observations_unique": 6421,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.756
        },
        {
          "type": "R(meas)",
          "value": 0.787
        },
        {
          "type": "I/SigI",
          "value": 3.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    },
    {
      "resolution_limits": [1.340,1.290],
      "number_observations": 86488,
      "number_observations_unique": 6217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.589
        },
        {
          "type": "R(meas)",
          "value": 0.611
        },
        {
          "type": "I/SigI",
          "value": 5.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [1.400,1.340],
      "number_observations": 84724,
      "number_observations_unique": 5923,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.497
        },
        {
          "type": "R(meas)",
          "value": 0.515
        },
        {
          "type": "I/SigI",
          "value": 6.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.400],
      "number_observations": 80988,
      "number_observations_unique": 5706,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.394
        },
        {
          "type": "R(meas)",
          "value": 0.409
        },
        {
          "type": "I/SigI",
          "value": 7.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.470],
      "number_observations": 76277,
      "number_observations_unique": 5446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "R(meas)",
          "value": 0.299
        },
        {
          "type": "I/SigI",
          "value": 10.220
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [1.640,1.550],
      "number_observations": 67174,
      "number_observations_unique": 5136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "R(meas)",
          "value": 0.223
        },
        {
          "type": "I/SigI",
          "value": 12.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.640],
      "number_observations": 71187,
      "number_observations_unique": 4837,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.173
        },
        {
          "type": "I/SigI",
          "value": 17.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.760],
      "number_observations": 65879,
      "number_observations_unique": 4535,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 21.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.080,1.900],
      "number_observations": 59023,
      "number_observations_unique": 4206,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 28.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.080],
      "number_observations": 47471,
      "number_observations_unique": 3785,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 31.800
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.330],
      "number_observations": 48218,
      "number_observations_unique": 3373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 39.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.290,2.690],
      "number_observations": 40507,
      "number_observations_unique": 2886,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 45.620
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.650,3.290],
      "number_observations": 27784,
      "number_observations_unique": 2269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 49.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [44.84,4.650],
      "number_observations": 18108,
      "number_observations_unique": 1340,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 51.820
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 44.840 44.840 1.100
High resolution limit [Å] 1.040 4.650 1.070
R(merge) 0.1070 0.0370 2.0060
R(meas) 0.1110 0.0390 2.0870
CC(1/2) 0.999 0.999 0.610
Completeness [%] 99.9 99.7 99.9
Multiplicity 13.7 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
44.840-4.650 0.0370 0.0390 0.999 99.7
4.650-3.290 0.0400 0.0420 0.999 99.9
3.290-2.690 0.0500 0.0520 0.999 100.0
2.690-2.330 0.0590 0.0620 0.999 100.0
2.330-2.080 0.0740 0.0770 0.998 99.9
2.080-1.900 0.0910 0.0940 0.998 99.9
1.900-1.760 0.1220 0.1260 0.997 99.9
1.760-1.640 0.1670 0.1730 0.995 100.0
1.640-1.550 0.2140 0.2230 0.990 100.0
1.550-1.470 0.2880 0.2990 0.985 100.0
1.470-1.400 0.3940 0.4090 0.972 100.0
1.400-1.340 0.4970 0.5150 0.957 100.0
1.340-1.290 0.5890 0.6110 0.942 99.9
1.290-1.240 0.7560 0.7870 0.904 100.0
1.240-1.200 0.8760 0.9100 0.883 100.0
1.200-1.160 0.9810 1.0180 0.861 99.9
1.160-1.130 1.1540 1.1970 0.826 99.9
1.130-1.100 1.4300 1.4890 0.742 99.9
1.100-1.070 2.0060 2.0870 0.610 99.9
1.070-1.040 2.6420 2.7470 0.481 99.9