Data quality metrics extracted from 6os0.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": "888442ce9ced194948f7280069bdce3c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 135.53,
    "b": 37.83,
    "c": 111.92,
    "alpha": 90.00,
    "beta": 94.41,
    "gamma": 90.00
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.196,2.900],
    "number_observations": 27811,
    "number_observations_unique": 11842,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.276
      },
      {
        "type": "R(meas)",
        "value": 0.341
      },
      {
        "type": "I/SigI",
        "value": 2.250
      },
      {
        "type": "Completeness",
        "value": 91.200
      },
      {
        "type": "Redundancy",
        "value": 2.349
      },
      {
        "type": "CC(1/2)",
        "value": 0.926
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.980,2.900],
      "number_observations": 2036,
      "number_observations_unique": 858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.806
        },
        {
          "type": "R(meas)",
          "value": 1.002
        },
        {
          "type": "I/SigI",
          "value": 0.610
        },
        {
          "type": "Completeness",
          "value": 93.100
        },
        {
          "type": "Redundancy",
          "value": 2.373
        },
        {
          "type": "CC(1/2)",
          "value": 0.354
        }
      ]
    },
    {
      "resolution_limits": [3.060,2.980],
      "number_observations": 2127,
      "number_observations_unique": 883,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.700
        },
        {
          "type": "R(meas)",
          "value": 0.869
        },
        {
          "type": "I/SigI",
          "value": 0.750
        },
        {
          "type": "Completeness",
          "value": 94.000
        },
        {
          "type": "Redundancy",
          "value": 2.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.421
        }
      ]
    },
    {
      "resolution_limits": [3.150,3.060],
      "number_observations": 1931,
      "number_observations_unique": 824,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.634
        },
        {
          "type": "R(meas)",
          "value": 0.789
        },
        {
          "type": "I/SigI",
          "value": 0.890
        },
        {
          "type": "Completeness",
          "value": 90.500
        },
        {
          "type": "Redundancy",
          "value": 2.343
        },
        {
          "type": "CC(1/2)",
          "value": 0.527
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.150],
      "number_observations": 1843,
      "number_observations_unique": 797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.553
        },
        {
          "type": "R(meas)",
          "value": 0.688
        },
        {
          "type": "I/SigI",
          "value": 0.990
        },
        {
          "type": "Completeness",
          "value": 94.100
        },
        {
          "type": "Redundancy",
          "value": 2.312
        },
        {
          "type": "CC(1/2)",
          "value": 0.576
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.240],
      "number_observations": 1770,
      "number_observations_unique": 784,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.521
        },
        {
          "type": "R(meas)",
          "value": 0.651
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 92.500
        },
        {
          "type": "Redundancy",
          "value": 2.258
        },
        {
          "type": "CC(1/2)",
          "value": 0.519
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.350],
      "number_observations": 1743,
      "number_observations_unique": 754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.485
        },
        {
          "type": "R(meas)",
          "value": 0.596
        },
        {
          "type": "I/SigI",
          "value": 1.480
        },
        {
          "type": "Completeness",
          "value": 89.500
        },
        {
          "type": "Redundancy",
          "value": 2.312
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.470],
      "number_observations": 1634,
      "number_observations_unique": 699,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.442
        },
        {
          "type": "R(meas)",
          "value": 0.549
        },
        {
          "type": "I/SigI",
          "value": 1.790
        },
        {
          "type": "Completeness",
          "value": 91.900
        },
        {
          "type": "Redundancy",
          "value": 2.338
        },
        {
          "type": "CC(1/2)",
          "value": 0.707
        }
      ]
    },
    {
      "resolution_limits": [3.740,3.600],
      "number_observations": 1730,
      "number_observations_unique": 715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.409
        },
        {
          "type": "R(meas)",
          "value": 0.507
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 90.900
        },
        {
          "type": "Redundancy",
          "value": 2.420
        },
        {
          "type": "CC(1/2)",
          "value": 0.743
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.740],
      "number_observations": 1632,
      "number_observations_unique": 675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.397
        },
        {
          "type": "R(meas)",
          "value": 0.488
        },
        {
          "type": "I/SigI",
          "value": 2.320
        },
        {
          "type": "Completeness",
          "value": 92.800
        },
        {
          "type": "Redundancy",
          "value": 2.418
        },
        {
          "type": "CC(1/2)",
          "value": 0.654
        }
      ]
    },
    {
      "resolution_limits": [4.100,3.910],
      "number_observations": 1542,
      "number_observations_unique": 651,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "R(meas)",
          "value": 0.463
        },
        {
          "type": "I/SigI",
          "value": 2.650
        },
        {
          "type": "Completeness",
          "value": 93.000
        },
        {
          "type": "Redundancy",
          "value": 2.369
        },
        {
          "type": "CC(1/2)",
          "value": 0.716
        }
      ]
    },
    {
      "resolution_limits": [4.320,4.100],
      "number_observations": 1448,
      "number_observations_unique": 611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.349
        },
        {
          "type": "R(meas)",
          "value": 0.431
        },
        {
          "type": "I/SigI",
          "value": 3.010
        },
        {
          "type": "Completeness",
          "value": 90.800
        },
        {
          "type": "Redundancy",
          "value": 2.370
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    },
    {
      "resolution_limits": [4.590,4.320],
      "number_observations": 1368,
      "number_observations_unique": 566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.284
        },
        {
          "type": "R(meas)",
          "value": 0.349
        },
        {
          "type": "I/SigI",
          "value": 3.470
        },
        {
          "type": "Completeness",
          "value": 89.300
        },
        {
          "type": "Redundancy",
          "value": 2.417
        },
        {
          "type": "CC(1/2)",
          "value": 0.836
        }
      ]
    },
    {
      "resolution_limits": [4.900,4.590],
      "number_observations": 1203,
      "number_observations_unique": 536,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 3.720
        },
        {
          "type": "Completeness",
          "value": 89.600
        },
        {
          "type": "Redundancy",
          "value": 2.244
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    },
    {
      "resolution_limits": [5.290,4.900],
      "number_observations": 1154,
      "number_observations_unique": 502,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.286
        },
        {
          "type": "I/SigI",
          "value": 3.710
        },
        {
          "type": "Completeness",
          "value": 89.200
        },
        {
          "type": "Redundancy",
          "value": 2.299
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    },
    {
      "resolution_limits": [5.800,5.290],
      "number_observations": 1156,
      "number_observations_unique": 474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.248
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "I/SigI",
          "value": 3.650
        },
        {
          "type": "Completeness",
          "value": 92.800
        },
        {
          "type": "Redundancy",
          "value": 2.439
        },
        {
          "type": "CC(1/2)",
          "value": 0.860
        }
      ]
    },
    {
      "resolution_limits": [6.480,5.800],
      "number_observations": 1035,
      "number_observations_unique": 423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.277
        },
        {
          "type": "I/SigI",
          "value": 3.800
        },
        {
          "type": "Completeness",
          "value": 87.600
        },
        {
          "type": "Redundancy",
          "value": 2.447
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    },
    {
      "resolution_limits": [7.490,6.480],
      "number_observations": 870,
      "number_observations_unique": 385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.202
        },
        {
          "type": "R(meas)",
          "value": 0.253
        },
        {
          "type": "I/SigI",
          "value": 4.080
        },
        {
          "type": "Completeness",
          "value": 90.400
        },
        {
          "type": "Redundancy",
          "value": 2.260
        },
        {
          "type": "CC(1/2)",
          "value": 0.878
        }
      ]
    },
    {
      "resolution_limits": [9.170,7.490],
      "number_observations": 716,
      "number_observations_unique": 327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 4.550
        },
        {
          "type": "Completeness",
          "value": 91.300
        },
        {
          "type": "Redundancy",
          "value": 2.190
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [12.970,9.170],
      "number_observations": 552,
      "number_observations_unique": 236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 5.180
        },
        {
          "type": "Completeness",
          "value": 83.400
        },
        {
          "type": "Redundancy",
          "value": 2.339
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [37.196,12.970],
      "number_observations": 321,
      "number_observations_unique": 142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.125
        },
        {
          "type": "I/SigI",
          "value": 5.130
        },
        {
          "type": "Completeness",
          "value": 82.100
        },
        {
          "type": "Redundancy",
          "value": 2.261
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 37.196 37.196 3.060
High resolution limit [Å] 2.900 12.970 2.980
R(merge) 0.2760 0.0970 0.7000
R(meas) 0.3410 0.1250 0.8690
CC(1/2) 0.926 0.990 0.421
Completeness [%] 91.2 82.1 94.0
Multiplicity 2.3 2.3 2.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
37.196-12.970 0.0970 0.1250 0.990 82.1 2.3
12.970-9.170 0.1280 0.1560 0.966 83.4 2.3
9.170-7.490 0.1480 0.1830 0.950 91.3 2.2
7.490-6.480 0.2020 0.2530 0.878 90.4 2.3
6.480-5.800 0.2230 0.2770 0.878 87.6 2.4
5.800-5.290 0.2480 0.3020 0.860 92.8 2.4
5.290-4.900 0.2310 0.2860 0.876 89.2 2.3
4.900-4.590 0.2310 0.2840 0.909 89.6 2.2
4.590-4.320 0.2840 0.3490 0.836 89.3 2.4
4.320-4.100 0.3490 0.4310 0.693 90.8 2.4
4.100-3.910 0.3720 0.4630 0.716 93.0 2.4
3.910-3.740 0.3970 0.4880 0.654 92.8 2.4
3.740-3.600 0.4090 0.5070 0.743 90.9 2.4
3.600-3.470 0.4420 0.5490 0.707 91.9 2.3
3.470-3.350 0.4850 0.5960 0.629 89.5 2.3
3.350-3.240 0.5210 0.6510 0.519 92.5 2.3
3.240-3.150 0.5530 0.6880 0.576 94.1 2.3
3.150-3.060 0.6340 0.7890 0.527 90.5 2.3
3.060-2.980 0.7000 0.8690 0.421 94.0 2.4
2.980-2.900 0.8060 1.0020 0.354 93.1 2.4