Data quality metrics extracted from 8uzh.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": "10c3b775b9f9fb46baca731c8f4ac394",
  "space_group_name": "P 32 1 2",
  "unit_cell": {
    "a": 156.877,
    "b": 156.877,
    "c": 138.436,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97872],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.70],
    "number_observations": 1154195,
    "number_observations_unique": 53148,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.245
      },
      {
        "type": "R(meas)",
        "value": 0.251
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 3.0
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 21.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.70],
      "number_observations_unique": 2668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.525
        },
        {
          "type": "R(meas)",
          "value": 4.632
        },
        {
          "type": "R(pim)",
          "value": 0.987
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.589
        }
      ]
    },
    {
      "resolution_limits": [2.80,2.75],
      "number_observations_unique": 2639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.266
        },
        {
          "type": "R(meas)",
          "value": 4.367
        },
        {
          "type": "R(pim)",
          "value": 0.932
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.628
        }
      ]
    },
    {
      "resolution_limits": [2.85,2.80],
      "number_observations_unique": 2606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.812
        },
        {
          "type": "R(meas)",
          "value": 3.902
        },
        {
          "type": "R(pim)",
          "value": 0.831
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.650
        }
      ]
    },
    {
      "resolution_limits": [2.91,2.85],
      "number_observations_unique": 2641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.972
        },
        {
          "type": "R(meas)",
          "value": 3.042
        },
        {
          "type": "R(pim)",
          "value": 0.649
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.777
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.91],
      "number_observations_unique": 2617,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.591
        },
        {
          "type": "R(meas)",
          "value": 2.653
        },
        {
          "type": "R(pim)",
          "value": 0.565
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.764
        }
      ]
    },
    {
      "resolution_limits": [3.04,2.97],
      "number_observations_unique": 2657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.925
        },
        {
          "type": "R(meas)",
          "value": 1.970
        },
        {
          "type": "R(pim)",
          "value": 0.420
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.863
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.04],
      "number_observations_unique": 2680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.536
        },
        {
          "type": "R(meas)",
          "value": 1.572
        },
        {
          "type": "R(pim)",
          "value": 0.335
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.916
        }
      ]
    },
    {
      "resolution_limits": [3.20,3.12],
      "number_observations_unique": 2611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.143
        },
        {
          "type": "R(meas)",
          "value": 1.170
        },
        {
          "type": "R(pim)",
          "value": 0.249
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.949
        }
      ]
    },
    {
      "resolution_limits": [3.30,3.20],
      "number_observations_unique": 2647,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.834
        },
        {
          "type": "R(meas)",
          "value": 0.854
        },
        {
          "type": "R(pim)",
          "value": 0.182
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [3.40,3.30],
      "number_observations_unique": 2650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.718
        },
        {
          "type": "R(meas)",
          "value": 0.735
        },
        {
          "type": "R(pim)",
          "value": 0.157
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [3.52,3.40],
      "number_observations_unique": 2643,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.516
        },
        {
          "type": "R(meas)",
          "value": 0.529
        },
        {
          "type": "R(pim)",
          "value": 0.113
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.66,3.52],
      "number_observations_unique": 2669,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.388
        },
        {
          "type": "R(meas)",
          "value": 0.398
        },
        {
          "type": "R(pim)",
          "value": 0.085
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [3.83,3.66],
      "number_observations_unique": 2645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "R(meas)",
          "value": 0.341
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.03,3.83],
      "number_observations_unique": 2645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.266
        },
        {
          "type": "R(meas)",
          "value": 0.273
        },
        {
          "type": "R(pim)",
          "value": 0.058
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [4.29,4.03],
      "number_observations_unique": 2650,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "R(meas)",
          "value": 0.205
        },
        {
          "type": "R(pim)",
          "value": 0.044
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.62,4.29],
      "number_observations_unique": 2684,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.173
        },
        {
          "type": "R(pim)",
          "value": 0.037
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [5.08,4.62],
      "number_observations_unique": 2662,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [5.81,5.08],
      "number_observations_unique": 2678,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "R(pim)",
          "value": 0.030
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [7.32,5.81],
      "number_observations_unique": 2690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.109
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 21.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [50.00,7.32],
      "number_observations_unique": 2766,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 20.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.800
High resolution limit [Å] 2.700 7.320 2.750
R(merge) 0.2450 0.0890 4.2660
R(meas) 0.2510 0.0920 4.3670
R(pim) 0.0540 0.0210 0.9320
CC(1/2) 0.982 0.975 0.628
Completeness [%] 100.0 100.0 100.0
Multiplicity 21.7 20.7 21.7


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-7.320 0.0890 0.0920 0.0210 0.975 100.0 20.7
7.320-5.810 0.1090 0.1110 0.0240 0.987 100.0 21.5
5.810-5.080 0.1380 0.1410 0.0300 0.988 100.0 21.6
5.080-4.620 0.1420 0.1460 0.0310 0.993 100.0 21.8
4.620-4.290 0.1690 0.1730 0.0370 0.992 100.0 21.7
4.290-4.030 0.2000 0.2050 0.0440 0.994 100.0 21.8
4.030-3.830 0.2660 0.2730 0.0580 0.987 100.0 21.8
3.830-3.660 0.3340 0.3410 0.0730 0.981 100.0 21.8
3.660-3.520 0.3880 0.3980 0.0850 0.990 100.0 21.8
3.520-3.400 0.5160 0.5290 0.1130 0.985 100.0 21.8
3.400-3.300 0.7180 0.7350 0.1570 0.977 100.0 21.8
3.300-3.200 0.8340 0.8540 0.1820 0.962 100.0 21.8
3.200-3.120 1.1430 1.1700 0.2490 0.949 100.0 21.8
3.120-3.040 1.5360 1.5720 0.3350 0.916 100.0 21.8
3.040-2.970 1.9250 1.9700 0.4200 0.863 100.0 21.8
2.970-2.910 2.5910 2.6530 0.5650 0.764 100.0 21.8
2.910-2.850 2.9720 3.0420 0.6490 0.777 100.0 21.8
2.850-2.800 3.8120 3.9020 0.8310 0.650 100.0 21.8
2.800-2.750 4.2660 4.3670 0.9320 0.628 100.0 21.7
2.750-2.700 4.5250 4.6320 0.9870 0.589 100.0 21.8