Data quality metrics extracted from 6o3m.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": "0c4b7a15c11ca147bd7436622fff9412",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 209.97,
    "b": 450.71,
    "c": 619.40,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.820,3.970],
    "number_observations": 6976690,
    "number_observations_unique": 496012,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.330
      },
      {
        "type": "R(meas)",
        "value": 0.342
      },
      {
        "type": "I/SigI",
        "value": 6.320
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 14.066
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.070,3.970],
      "number_observations_unique": 34930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.780
        },
        {
          "type": "R(meas)",
          "value": 2.932
        },
        {
          "type": "I/SigI",
          "value": 0.960
        },
        {
          "type": "Completeness",
          "value": 94.700
        },
        {
          "type": "Redundancy",
          "value": 9.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.293
        }
      ]
    },
    {
      "resolution_limits": [4.180,4.070],
      "number_observations_unique": 35514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.613
        },
        {
          "type": "R(meas)",
          "value": 2.724
        },
        {
          "type": "I/SigI",
          "value": 1.260
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 12.320
        },
        {
          "type": "CC(1/2)",
          "value": 0.423
        }
      ]
    },
    {
      "resolution_limits": [4.310,4.180],
      "number_observations_unique": 34891,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.162
        },
        {
          "type": "R(meas)",
          "value": 2.239
        },
        {
          "type": "I/SigI",
          "value": 1.590
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 14.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.507
        }
      ]
    },
    {
      "resolution_limits": [4.440,4.310],
      "number_observations_unique": 33920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.772
        },
        {
          "type": "R(meas)",
          "value": 1.834
        },
        {
          "type": "I/SigI",
          "value": 1.950
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 14.560
        },
        {
          "type": "CC(1/2)",
          "value": 0.612
        }
      ]
    },
    {
      "resolution_limits": [4.580,4.440],
      "number_observations_unique": 32918,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.466
        },
        {
          "type": "R(meas)",
          "value": 1.518
        },
        {
          "type": "I/SigI",
          "value": 2.350
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 14.457
        },
        {
          "type": "CC(1/2)",
          "value": 0.682
        }
      ]
    },
    {
      "resolution_limits": [4.750,4.580],
      "number_observations_unique": 31827,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.239
        },
        {
          "type": "R(meas)",
          "value": 1.283
        },
        {
          "type": "I/SigI",
          "value": 2.730
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 14.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.746
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.750],
      "number_observations_unique": 30755,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.051
        },
        {
          "type": "R(meas)",
          "value": 1.089
        },
        {
          "type": "I/SigI",
          "value": 3.180
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 14.201
        },
        {
          "type": "CC(1/2)",
          "value": 0.800
        }
      ]
    },
    {
      "resolution_limits": [5.130,4.920],
      "number_observations_unique": 29577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.929
        },
        {
          "type": "R(meas)",
          "value": 0.960
        },
        {
          "type": "I/SigI",
          "value": 3.800
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 14.640
        },
        {
          "type": "CC(1/2)",
          "value": 0.853
        }
      ]
    },
    {
      "resolution_limits": [5.350,5.130],
      "number_observations_unique": 28217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.760
        },
        {
          "type": "R(meas)",
          "value": 0.787
        },
        {
          "type": "I/SigI",
          "value": 4.550
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 14.097
        },
        {
          "type": "CC(1/2)",
          "value": 0.894
        }
      ]
    },
    {
      "resolution_limits": [5.610,5.350],
      "number_observations_unique": 26640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.636
        },
        {
          "type": "R(meas)",
          "value": 0.659
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 14.324
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [5.920,5.610],
      "number_observations_unique": 25862,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.548
        },
        {
          "type": "R(meas)",
          "value": 0.566
        },
        {
          "type": "I/SigI",
          "value": 6.150
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 15.665
        },
        {
          "type": "CC(1/2)",
          "value": 0.945
        }
      ]
    },
    {
      "resolution_limits": [6.280,5.920],
      "number_observations_unique": 24400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.480
        },
        {
          "type": "R(meas)",
          "value": 0.496
        },
        {
          "type": "I/SigI",
          "value": 6.820
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 15.532
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [6.710,6.280],
      "number_observations_unique": 22939,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.403
        },
        {
          "type": "R(meas)",
          "value": 0.417
        },
        {
          "type": "I/SigI",
          "value": 7.790
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 15.356
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [7.250,6.710],
      "number_observations_unique": 21409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.306
        },
        {
          "type": "R(meas)",
          "value": 0.316
        },
        {
          "type": "I/SigI",
          "value": 9.760
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 14.950
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [7.940,7.250],
      "number_observations_unique": 19580,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.238
        },
        {
          "type": "R(meas)",
          "value": 0.247
        },
        {
          "type": "I/SigI",
          "value": 11.900
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 13.923
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [8.880,7.940],
      "number_observations_unique": 17591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "R(meas)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 14.680
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 14.503
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [10.250,8.880],
      "number_observations_unique": 15754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.146
        },
        {
          "type": "R(meas)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 19.180
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 15.278
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [12.550,10.250],
      "number_observations_unique": 13353,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "I/SigI",
          "value": 24.490
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 14.689
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [17.750,12.550],
      "number_observations_unique": 10344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 26.350
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 13.071
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [49.820,17.750],
      "number_observations_unique": 5591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 33.260
        },
        {
          "type": "Completeness",
          "value": 92.000
        },
        {
          "type": "Redundancy",
          "value": 14.776
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.820 49.820 4.180
High resolution limit [Å] 3.970 17.750 4.070
R(merge) 0.3300 0.0570 2.6130
R(meas) 0.3420 0.0590 2.7240
CC(1/2) 0.999 0.999 0.423
Completeness [%] 98.6 92.0 98.6
Multiplicity 15.1 14.8 12.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.820-17.750 0.0570 0.0590 0.999 92.0 14.8
17.750-12.550 0.0880 0.0910 0.997 97.0 14.1
12.550-10.250 0.1090 0.1130 0.996 98.1 14.7
10.250-8.880 0.1460 0.1500 0.994 98.4 15.3
8.880-7.940 0.1910 0.1970 0.988 97.4 14.5
7.940-7.250 0.2380 0.2470 0.984 98.5 13.9
7.250-6.710 0.3060 0.3160 0.979 99.0 15.0
6.710-6.280 0.4030 0.4170 0.967 99.2 15.4
6.280-5.920 0.4800 0.4960 0.955 99.2 15.5
5.920-5.610 0.5480 0.5660 0.945 99.3 15.7
5.610-5.350 0.6360 0.6590 0.921 97.9 14.3
5.350-5.130 0.7600 0.7870 0.894 99.1 15.1
5.130-4.920 0.9290 0.9600 0.853 99.4 14.6
4.920-4.750 1.0510 1.0890 0.800 99.6 14.2
4.750-4.580 1.2390 1.2830 0.746 99.6 14.3
4.580-4.440 1.4660 1.5180 0.682 99.7 14.5
4.440-4.310 1.7720 1.8340 0.612 99.7 14.6
4.310-4.180 2.1620 2.2390 0.507 99.6 14.3
4.180-4.070 2.6130 2.7240 0.423 98.6 12.3
4.070-3.970 2.7800 2.9320 0.293 94.7 9.4