Data quality metrics extracted from 9jhz.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": "82030d58cb901e957bf49fa78ac056f7",
  "space_group_name": "P 32 1 2",
  "unit_cell": {
    "a": 90.562,
    "b": 90.562,
    "c": 212.496,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.20],
    "number_observations": 515685,
    "number_observations_unique": 50628,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "R(meas)",
        "value": 0.202
      },
      {
        "type": "R(pim)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 4.7
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 10.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.20],
      "number_observations_unique": 2432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.708
        },
        {
          "type": "R(meas)",
          "value": 0.810
        },
        {
          "type": "R(pim)",
          "value": 0.381
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 3.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.025
        }
      ]
    },
    {
      "resolution_limits": [2.28,2.24],
      "number_observations_unique": 2443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.679
        },
        {
          "type": "R(meas)",
          "value": 0.763
        },
        {
          "type": "R(pim)",
          "value": 0.338
        },
        {
          "type": "Completeness",
          "value": 98.0
        },
        {
          "type": "Redundancy",
          "value": 4.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.136
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.28],
      "number_observations_unique": 2508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.640
        },
        {
          "type": "R(meas)",
          "value": 0.709
        },
        {
          "type": "R(pim)",
          "value": 0.298
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 5.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.111
        }
      ]
    },
    {
      "resolution_limits": [2.37,2.32],
      "number_observations_unique": 2525,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.600
        },
        {
          "type": "R(meas)",
          "value": 0.659
        },
        {
          "type": "R(pim)",
          "value": 0.265
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [2.42,2.37],
      "number_observations_unique": 2497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.604
        },
        {
          "type": "R(meas)",
          "value": 0.658
        },
        {
          "type": "R(pim)",
          "value": 0.254
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.185
        }
      ]
    },
    {
      "resolution_limits": [2.48,2.42],
      "number_observations_unique": 2501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.575
        },
        {
          "type": "R(meas)",
          "value": 0.621
        },
        {
          "type": "R(pim)",
          "value": 0.229
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    },
    {
      "resolution_limits": [2.54,2.48],
      "number_observations_unique": 2538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.542
        },
        {
          "type": "R(meas)",
          "value": 0.585
        },
        {
          "type": "R(pim)",
          "value": 0.213
        },
        {
          "type": "Completeness",
          "value": 99.7
        },
        {
          "type": "Redundancy",
          "value": 7.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.415
        }
      ]
    },
    {
      "resolution_limits": [2.61,2.54],
      "number_observations_unique": 2498,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.505
        },
        {
          "type": "R(meas)",
          "value": 0.539
        },
        {
          "type": "R(pim)",
          "value": 0.185
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 8.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.650
        }
      ]
    },
    {
      "resolution_limits": [2.69,2.61],
      "number_observations_unique": 2556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.512
        },
        {
          "type": "R(meas)",
          "value": 0.541
        },
        {
          "type": "R(pim)",
          "value": 0.170
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 9.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.717
        }
      ]
    },
    {
      "resolution_limits": [2.77,2.69],
      "number_observations_unique": 2497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.477
        },
        {
          "type": "R(meas)",
          "value": 0.502
        },
        {
          "type": "R(pim)",
          "value": 0.153
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 10.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.770
        }
      ]
    },
    {
      "resolution_limits": [2.87,2.77],
      "number_observations_unique": 2533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.425
        },
        {
          "type": "R(meas)",
          "value": 0.446
        },
        {
          "type": "R(pim)",
          "value": 0.132
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 10.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [2.99,2.87],
      "number_observations_unique": 2533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.381
        },
        {
          "type": "R(meas)",
          "value": 0.399
        },
        {
          "type": "R(pim)",
          "value": 0.115
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 11.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    },
    {
      "resolution_limits": [3.12,2.99],
      "number_observations_unique": 2540,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "R(meas)",
          "value": 0.348
        },
        {
          "type": "R(pim)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 10.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [3.29,3.12],
      "number_observations_unique": 2520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.265
        },
        {
          "type": "R(meas)",
          "value": 0.276
        },
        {
          "type": "R(pim)",
          "value": 0.074
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 12.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [3.49,3.29],
      "number_observations_unique": 2563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "R(meas)",
          "value": 0.230
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 13.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.76,3.49],
      "number_observations_unique": 2553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.178
        },
        {
          "type": "R(meas)",
          "value": 0.184
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 14.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [4.14,3.76],
      "number_observations_unique": 2559,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "R(pim)",
          "value": 0.039
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 14.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 4.140 2.280
High resolution limit [Å] 2.200 3.760 2.240
R(merge) 0.1930 0.1480 0.6790
R(meas) 0.2020 0.1530 0.7630
R(pim) 0.0580 0.0390 0.3380
CC(1/2) 0.981 0.993 0.136
Completeness [%] 99.5 99.9 98.0
Multiplicity 10.2 14.1 4.5


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
4.140-3.760 0.1480 0.1530 0.0390 0.993 99.9 14.1
3.760-3.490 0.1780 0.1840 0.0460 0.989 100.0 14.6
3.490-3.290 0.2220 0.2300 0.0590 0.985 99.9 13.8
3.290-3.120 0.2650 0.2760 0.0740 0.973 100.0 12.6
3.120-2.990 0.3320 0.3480 0.1020 0.941 99.8 10.8
2.990-2.870 0.3810 0.3990 0.1150 0.919 99.8 11.1
2.870-2.770 0.4250 0.4460 0.1320 0.847 99.8 10.6
2.770-2.690 0.4770 0.5020 0.1530 0.770 99.9 10.1
2.690-2.610 0.5120 0.5410 0.1700 0.717 99.9 9.5
2.610-2.540 0.5050 0.5390 0.1850 0.650 99.9 8.0
2.540-2.480 0.5420 0.5850 0.2130 0.415 99.7 7.0
2.480-2.420 0.5750 0.6210 0.2290 0.357 99.8 6.9
2.420-2.370 0.6040 0.6580 0.2540 0.185 99.5 6.3
2.370-2.320 0.6000 0.6590 0.2650 0.275 99.4 5.7
2.320-2.280 0.6400 0.7090 0.2980 0.111 99.3 5.2
2.280-2.240 0.6790 0.7630 0.3380 0.136 98.0 4.5
2.240-2.200 0.7080 0.8100 0.3810 0.025 96.8 3.8