Data quality metrics extracted from 5c9j.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": "e414333f683e53df0217e384edf0c327",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 97.13,
    "b": 97.13,
    "c": 115.08,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.3400,2.400],
    "number_observations": 141258,
    "number_observations_unique": 46442,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "R(meas)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 15.39
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 3.04
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.460,2.400],
      "number_observations": 6330,
      "number_observations_unique": 2946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.599
        },
        {
          "type": "R(meas)",
          "value": 0.756
        },
        {
          "type": "I/SigI",
          "value": 1.780
        },
        {
          "type": "Completeness",
          "value": 84.900
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.460],
      "number_observations": 7417,
      "number_observations_unique": 3127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.507
        },
        {
          "type": "R(meas)",
          "value": 0.633
        },
        {
          "type": "I/SigI",
          "value": 2.170
        },
        {
          "type": "Completeness",
          "value": 91.400
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.530],
      "number_observations": 9126,
      "number_observations_unique": 3298,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.401
        },
        {
          "type": "R(meas)",
          "value": 0.492
        },
        {
          "type": "I/SigI",
          "value": 3.060
        },
        {
          "type": "Completeness",
          "value": 98.100
        }
      ]
    },
    {
      "resolution_limits": [2.680,2.600],
      "number_observations": 10163,
      "number_observations_unique": 3226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.340
        },
        {
          "type": "R(meas)",
          "value": 0.411
        },
        {
          "type": "I/SigI",
          "value": 3.960
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.680],
      "number_observations": 10144,
      "number_observations_unique": 3132,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.272
        },
        {
          "type": "R(meas)",
          "value": 0.327
        },
        {
          "type": "I/SigI",
          "value": 4.890
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.770],
      "number_observations": 9895,
      "number_observations_unique": 3049,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.205
        },
        {
          "type": "R(meas)",
          "value": 0.247
        },
        {
          "type": "I/SigI",
          "value": 6.260
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [2.980,2.870],
      "number_observations": 9311,
      "number_observations_unique": 2873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.160
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 7.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.980],
      "number_observations": 9189,
      "number_observations_unique": 2838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 10.140
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.240,3.100],
      "number_observations": 8832,
      "number_observations_unique": 2728,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.105
        },
        {
          "type": "I/SigI",
          "value": 13.860
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.240],
      "number_observations": 8159,
      "number_observations_unique": 2528,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.079
        },
        {
          "type": "I/SigI",
          "value": 17.740
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.390],
      "number_observations": 7778,
      "number_observations_unique": 2460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 21.560
        },
        {
          "type": "Completeness",
          "value": 98.700
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.580],
      "number_observations": 7243,
      "number_observations_unique": 2276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 25.210
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    },
    {
      "resolution_limits": [4.060,3.800],
      "number_observations": 6817,
      "number_observations_unique": 2171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 28.950
        },
        {
          "type": "Completeness",
          "value": 99.100
        }
      ]
    },
    {
      "resolution_limits": [4.380,4.060],
      "number_observations": 6484,
      "number_observations_unique": 2033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 31.870
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.800,4.380],
      "number_observations": 5884,
      "number_observations_unique": 1858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 35.070
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [5.370,4.800],
      "number_observations": 5373,
      "number_observations_unique": 1693,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 34.820
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [6.200,5.370],
      "number_observations": 4620,
      "number_observations_unique": 1468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 32.880
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [7.590,6.200],
      "number_observations": 3863,
      "number_observations_unique": 1262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 33.270
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [10.730,7.590],
      "number_observations": 3143,
      "number_observations_unique": 979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 39.450
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [28.3400,10.730],
      "number_observations": 1487,
      "number_observations_unique": 497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 40.520
        },
        {
          "type": "Completeness",
          "value": 94.800
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 28.340 28.340 2.530
High resolution limit [Å] 2.400 10.730 2.460
R(merge) 0.0540 0.0190 0.5070
R(meas) 0.0660 0.0230 0.6330
Completeness [%] 97.8 94.8 91.4
Multiplicity 3.0 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%]
28.340-10.730 0.0190 0.0230 94.8
10.730-7.590 0.0220 0.0260 99.9
7.590-6.200 0.0310 0.0370 99.4
6.200-5.370 0.0310 0.0370 99.8
5.370-4.800 0.0280 0.0340 99.7
4.800-4.380 0.0280 0.0340 99.6
4.380-4.060 0.0310 0.0370 99.8
4.060-3.800 0.0360 0.0440 99.1
3.800-3.580 0.0430 0.0510 99.3
3.580-3.390 0.0520 0.0620 98.7
3.390-3.240 0.0650 0.0790 100.0
3.240-3.100 0.0870 0.1050 99.9
3.100-2.980 0.1230 0.1480 99.9
2.980-2.870 0.1600 0.1920 100.0
2.870-2.770 0.2050 0.2470 99.9
2.770-2.680 0.2720 0.3270 99.9
2.680-2.600 0.3400 0.4110 99.3
2.600-2.530 0.4010 0.4920 98.1
2.530-2.460 0.5070 0.6330 91.4
2.460-2.400 0.5990 0.7560 84.9