Data quality metrics extracted from 5ko0.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": "18139e1aaacfcd8b2f8d33866045553e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 11.68,
    "b": 18.18,
    "c": 19.93,
    "alpha": 62.84,
    "beta": 88.90,
    "gamma": 87.60
  },
  "wavelengths": [0.02510],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [17.733,1.400],
    "number_observations": 9014,
    "number_observations_unique": 2180,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "R(meas)",
        "value": 0.215
      },
      {
        "type": "I/SigI",
        "value": 4.330
      },
      {
        "type": "Completeness",
        "value": 75.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.440,1.400],
      "number_observations": 153,
      "number_observations_unique": 84,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.505
        },
        {
          "type": "R(meas)",
          "value": 0.648
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 35.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.644
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.440],
      "number_observations": 240,
      "number_observations_unique": 119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.559
        },
        {
          "type": "R(meas)",
          "value": 0.710
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 63.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [1.520,1.470],
      "number_observations": 344,
      "number_observations_unique": 144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.409
        },
        {
          "type": "R(meas)",
          "value": 0.512
        },
        {
          "type": "I/SigI",
          "value": 1.720
        },
        {
          "type": "Completeness",
          "value": 66.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.841
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.520],
      "number_observations": 389,
      "number_observations_unique": 140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "R(meas)",
          "value": 0.329
        },
        {
          "type": "I/SigI",
          "value": 1.920
        },
        {
          "type": "Completeness",
          "value": 77.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [1.620,1.560],
      "number_observations": 586,
      "number_observations_unique": 166,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.415
        },
        {
          "type": "R(meas)",
          "value": 0.472
        },
        {
          "type": "I/SigI",
          "value": 2.320
        },
        {
          "type": "Completeness",
          "value": 80.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.842
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.620],
      "number_observations": 615,
      "number_observations_unique": 152,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.389
        },
        {
          "type": "R(meas)",
          "value": 0.442
        },
        {
          "type": "I/SigI",
          "value": 2.560
        },
        {
          "type": "Completeness",
          "value": 80.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.916
        }
      ]
    },
    {
      "resolution_limits": [1.730,1.670],
      "number_observations": 496,
      "number_observations_unique": 124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.460
        },
        {
          "type": "R(meas)",
          "value": 0.521
        },
        {
          "type": "I/SigI",
          "value": 2.540
        },
        {
          "type": "Completeness",
          "value": 81.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.730],
      "number_observations": 634,
      "number_observations_unique": 151,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.321
        },
        {
          "type": "R(meas)",
          "value": 0.364
        },
        {
          "type": "I/SigI",
          "value": 3.230
        },
        {
          "type": "Completeness",
          "value": 81.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.810],
      "number_observations": 652,
      "number_observations_unique": 138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "R(meas)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 3.950
        },
        {
          "type": "Completeness",
          "value": 82.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.933
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.890],
      "number_observations": 672,
      "number_observations_unique": 132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "I/SigI",
          "value": 4.770
        },
        {
          "type": "Completeness",
          "value": 82.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [2.090,1.980],
      "number_observations": 593,
      "number_observations_unique": 121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.221
        },
        {
          "type": "I/SigI",
          "value": 5.830
        },
        {
          "type": "Completeness",
          "value": 84.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.090],
      "number_observations": 646,
      "number_observations_unique": 123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.225
        },
        {
          "type": "R(meas)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 6.950
        },
        {
          "type": "Completeness",
          "value": 82.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.900
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.210],
      "number_observations": 585,
      "number_observations_unique": 115,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "R(meas)",
          "value": 0.202
        },
        {
          "type": "I/SigI",
          "value": 6.040
        },
        {
          "type": "Completeness",
          "value": 85.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.360],
      "number_observations": 505,
      "number_observations_unique": 99,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "R(meas)",
          "value": 0.290
        },
        {
          "type": "I/SigI",
          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 79.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.550],
      "number_observations": 458,
      "number_observations_unique": 87,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.242
        },
        {
          "type": "R(meas)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 6.470
        },
        {
          "type": "Completeness",
          "value": 79.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.800],
      "number_observations": 407,
      "number_observations_unique": 83,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.217
        },
        {
          "type": "R(meas)",
          "value": 0.245
        },
        {
          "type": "I/SigI",
          "value": 6.950
        },
        {
          "type": "Completeness",
          "value": 83.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.610,3.130],
      "number_observations": 369,
      "number_observations_unique": 73,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.158
        },
        {
          "type": "R(meas)",
          "value": 0.175
        },
        {
          "type": "I/SigI",
          "value": 9.230
        },
        {
          "type": "Completeness",
          "value": 80.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.420,3.610],
      "number_observations": 337,
      "number_observations_unique": 61,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "I/SigI",
          "value": 10.190
        },
        {
          "type": "Completeness",
          "value": 75.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [6.260,4.420],
      "number_observations": 237,
      "number_observations_unique": 45,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 9.930
        },
        {
          "type": "Completeness",
          "value": 76.300
        }
      ]
    },
    {
      "resolution_limits": [17.733,6.260],
      "number_observations": 96,
      "number_observations_unique": 23,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 8.300
        },
        {
          "type": "Completeness",
          "value": 71.900
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 17.733 17.733 1.470
High resolution limit [Å] 1.400 6.260 1.440
R(merge) 0.1930 0.1400 0.5590
R(meas) 0.2150 0.1580 0.7100
CC(1/2) 0.985 - 0.956
Completeness [%] 75.0 71.9 63.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
17.733-6.260 0.1400 0.1580 - 71.9
6.260-4.420 0.1290 0.1400 - 76.3
4.420-3.610 0.1330 0.1460 0.984 75.3
3.610-3.130 0.1580 0.1750 0.997 80.2
3.130-2.800 0.2170 0.2450 0.983 83.0
2.800-2.550 0.2420 0.2670 0.977 79.8
2.550-2.360 0.2610 0.2900 0.979 79.2
2.360-2.210 0.1840 0.2020 0.951 85.8
2.210-2.090 0.2250 0.2460 0.900 82.6
2.090-1.980 0.2020 0.2210 0.979 84.6
1.980-1.890 0.2700 0.3020 0.976 82.5
1.890-1.810 0.2830 0.3150 0.933 82.1
1.810-1.730 0.3210 0.3640 0.909 81.6
1.730-1.670 0.4600 0.5210 0.961 81.6
1.670-1.620 0.3890 0.4420 0.916 80.9
1.620-1.560 0.4150 0.4720 0.842 80.2
1.560-1.520 0.2790 0.3290 0.896 77.8
1.520-1.470 0.4090 0.5120 0.841 66.4
1.470-1.440 0.5590 0.7100 0.956 63.0
1.440-1.400 0.5050 0.6480 0.644 35.3