Data quality metrics extracted from 7esz.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": "850ae7e7efbc2c4ff4c37744bce7b6f9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 85.466,
    "b": 86.380,
    "c": 93.018,
    "alpha": 110.06,
    "beta": 91.86,
    "gamma": 115.38
  },
  "wavelengths": [0.97876],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.476],
    "number_observations_unique": 73644,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "R(meas)",
        "value": 0.211
      },
      {
        "type": "R(pim)",
        "value": 0.144
      },
      {
        "type": "I/SigI",
        "value": 11.9
      },
      {
        "type": "Completeness",
        "value": 97.100
      },
      {
        "type": "Redundancy",
        "value": 3.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.540,2.500],
      "number_observations_unique": 3698,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.847
        },
        {
          "type": "R(meas)",
          "value": 0.857
        },
        {
          "type": "R(pim)",
          "value": 0.930
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.106
        }
      ]
    },
    {
      "resolution_limits": [2.590,2.540],
      "number_observations_unique": 3710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.718
        },
        {
          "type": "R(meas)",
          "value": 0.674
        },
        {
          "type": "R(pim)",
          "value": 0.958
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.106
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.590],
      "number_observations_unique": 3579,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.561
        },
        {
          "type": "R(meas)",
          "value": 0.500
        },
        {
          "type": "R(pim)",
          "value": 0.745
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.136
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.640],
      "number_observations_unique": 3700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.417
        },
        {
          "type": "R(meas)",
          "value": 0.401
        },
        {
          "type": "R(pim)",
          "value": 0.585
        },
        {
          "type": "Completeness",
          "value": 96.800
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.168
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.690],
      "number_observations_unique": 3707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.334
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "R(pim)",
          "value": 0.464
        },
        {
          "type": "Completeness",
          "value": 97.200
        },
        {
          "type": "Redundancy",
          "value": 2.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.166
        }
      ]
    },
    {
      "resolution_limits": [2.820,2.750],
      "number_observations_unique": 3671,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "R(pim)",
          "value": 0.369
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 2.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.231
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.820],
      "number_observations_unique": 3675,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.251
        },
        {
          "type": "R(meas)",
          "value": 0.260
        },
        {
          "type": "R(pim)",
          "value": 0.272
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.381
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.890],
      "number_observations_unique": 3732,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.215
        },
        {
          "type": "R(meas)",
          "value": 0.238
        },
        {
          "type": "R(pim)",
          "value": 0.219
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.597
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.960],
      "number_observations_unique": 3715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "R(meas)",
          "value": 0.203
        },
        {
          "type": "R(pim)",
          "value": 0.192
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.651
        }
      ]
    },
    {
      "resolution_limits": [3.150,3.050],
      "number_observations_unique": 3686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "R(pim)",
          "value": 0.166
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.828
        }
      ]
    },
    {
      "resolution_limits": [3.260,3.150],
      "number_observations_unique": 3721,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.129
        },
        {
          "type": "R(meas)",
          "value": 0.149
        },
        {
          "type": "R(pim)",
          "value": 0.145
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.842
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.260],
      "number_observations_unique": 3686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.150
        },
        {
          "type": "R(pim)",
          "value": 0.140
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.873
        }
      ]
    },
    {
      "resolution_limits": [3.550,3.390],
      "number_observations_unique": 3737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "R(pim)",
          "value": 0.120
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.900
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.550],
      "number_observations_unique": 3763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(pim)",
          "value": 0.086
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [3.970,3.730],
      "number_observations_unique": 3664,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [4.270,3.970],
      "number_observations_unique": 3715,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.083
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [4.700,4.270],
      "number_observations_unique": 3635,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.055
        },
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [5.380,4.700],
      "number_observations_unique": 3661,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.300
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [6.780,5.380],
      "number_observations_unique": 3630,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 3.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.967
        }
      ]
    },
    {
      "resolution_limits": [50.000,6.780],
      "number_observations_unique": 3559,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.400
        },
        {
          "type": "Redundancy",
          "value": 3.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.590
High resolution limit [Å] 2.476 6.780 2.540
R(merge) 0.1830 - 0.7180
R(meas) 0.2110 - 0.6740
R(pim) 0.1440 - 0.9580
CC(1/2) - 0.983 0.106
Completeness [%] 97.1 93.4 96.3
Multiplicity 3.0 3.0 2.9


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-6.780 - - - 0.983 93.4 3.0
6.780-5.380 - - - 0.967 96.6 3.2
5.380-4.700 - - - 0.970 96.3 3.2
4.700-4.270 - - 0.0550 0.965 96.3 3.2
4.270-3.970 - - 0.0830 0.936 97.6 2.8
3.970-3.730 - - 0.0820 0.905 97.6 2.8
3.730-3.550 0.0790 - 0.0860 0.921 97.8 3.1
3.550-3.390 0.1240 0.0960 0.1200 0.900 98.1 3.1
3.390-3.260 0.1240 0.1500 0.1400 0.873 98.1 3.2
3.260-3.150 0.1290 0.1490 0.1450 0.842 98.2 3.2
3.150-3.050 0.1630 0.1560 0.1660 0.828 97.8 3.2
3.050-2.960 0.1900 0.2030 0.1920 0.651 97.8 3.2
2.960-2.890 0.2150 0.2380 0.2190 0.597 97.8 3.2
2.890-2.820 0.2510 0.2600 0.2720 0.381 97.6 2.9
2.820-2.750 0.2900 0.3020 0.3690 0.231 97.5 2.7
2.750-2.690 0.3340 0.3500 0.4640 0.166 97.2 2.6
2.690-2.640 0.4170 0.4010 0.5850 0.168 96.8 2.8
2.640-2.590 0.5610 0.5000 0.7450 0.136 96.4 2.9
2.590-2.540 0.7180 0.6740 0.9580 0.106 96.3 2.9
2.540-2.500 0.8470 0.8570 0.9300 0.106 96.6 2.8