Data quality metrics extracted from 7t7b.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": "642c60181fc93913d2c5e42902523bd2",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 85.026,
    "b": 85.026,
    "c": 214.988,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.59],
    "number_observations_unique": 25315,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.237
      },
      {
        "type": "R(meas)",
        "value": 0.257
      },
      {
        "type": "R(pim)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 5.700
      },
      {
        "type": "Completeness",
        "value": 99.200
      },
      {
        "type": "Redundancy",
        "value": 6.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.640,2.600],
      "number_observations_unique": 1241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.547
        },
        {
          "type": "R(meas)",
          "value": 1.697
        },
        {
          "type": "R(pim)",
          "value": 0.684
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.459
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.640],
      "number_observations_unique": 1215,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.410
        },
        {
          "type": "R(meas)",
          "value": 1.540
        },
        {
          "type": "R(pim)",
          "value": 0.607
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.497
        }
      ]
    },
    {
      "resolution_limits": [2.740,2.690],
      "number_observations_unique": 1265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.169
        },
        {
          "type": "R(meas)",
          "value": 1.274
        },
        {
          "type": "R(pim)",
          "value": 0.494
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.631
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.740],
      "number_observations_unique": 1209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.092
        },
        {
          "type": "R(meas)",
          "value": 1.186
        },
        {
          "type": "R(pim)",
          "value": 0.452
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.624
        }
      ]
    },
    {
      "resolution_limits": [2.860,2.800],
      "number_observations_unique": 1234,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.931
        },
        {
          "type": "R(meas)",
          "value": 1.010
        },
        {
          "type": "R(pim)",
          "value": 0.382
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    },
    {
      "resolution_limits": [2.930,2.860],
      "number_observations_unique": 1244,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.775
        },
        {
          "type": "R(meas)",
          "value": 0.840
        },
        {
          "type": "R(pim)",
          "value": 0.317
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.764
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.930],
      "number_observations_unique": 1232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.662
        },
        {
          "type": "R(meas)",
          "value": 0.720
        },
        {
          "type": "R(pim)",
          "value": 0.275
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.779
        }
      ]
    },
    {
      "resolution_limits": [3.080,3.000],
      "number_observations_unique": 1242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.520
        },
        {
          "type": "R(meas)",
          "value": 0.566
        },
        {
          "type": "R(pim)",
          "value": 0.216
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.870
        }
      ]
    },
    {
      "resolution_limits": [3.170,3.080],
      "number_observations_unique": 1272,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "R(meas)",
          "value": 0.472
        },
        {
          "type": "R(pim)",
          "value": 0.184
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.897
        }
      ]
    },
    {
      "resolution_limits": [3.280,3.170],
      "number_observations_unique": 1231,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.365
        },
        {
          "type": "R(meas)",
          "value": 0.400
        },
        {
          "type": "R(pim)",
          "value": 0.160
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.899
        }
      ]
    },
    {
      "resolution_limits": [3.390,3.280],
      "number_observations_unique": 1238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.320
        },
        {
          "type": "R(meas)",
          "value": 0.347
        },
        {
          "type": "R(pim)",
          "value": 0.131
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.390],
      "number_observations_unique": 1274,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.270
        },
        {
          "type": "R(meas)",
          "value": 0.292
        },
        {
          "type": "R(pim)",
          "value": 0.109
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.530],
      "number_observations_unique": 1253,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "R(meas)",
          "value": 0.255
        },
        {
          "type": "R(pim)",
          "value": 0.095
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [3.880,3.690],
      "number_observations_unique": 1280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.203
        },
        {
          "type": "R(meas)",
          "value": 0.220
        },
        {
          "type": "R(pim)",
          "value": 0.083
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [4.130,3.880],
      "number_observations_unique": 1261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "R(meas)",
          "value": 0.189
        },
        {
          "type": "R(pim)",
          "value": 0.071
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [4.450,4.130],
      "number_observations_unique": 1292,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "R(pim)",
          "value": 0.060
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [4.890,4.450],
      "number_observations_unique": 1270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.138
        },
        {
          "type": "R(pim)",
          "value": 0.054
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [5.600,4.890],
      "number_observations_unique": 1312,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "R(meas)",
          "value": 0.136
        },
        {
          "type": "R(pim)",
          "value": 0.048
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [7.050,5.600],
      "number_observations_unique": 1337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 7.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [50.000,7.050],
      "number_observations_unique": 1413,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.690
High resolution limit [Å] 2.590 7.050 2.640
R(merge) 0.2370 0.0890 1.4100
R(meas) 0.2570 0.0970 1.5400
R(pim) 0.0970 0.0360 0.6070
CC(1/2) - 0.993 0.497
Completeness [%] 99.2 97.4 98.9
Multiplicity 6.7 6.5 6.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-7.050 0.0890 0.0970 0.0360 0.993 97.4 6.5
7.050-5.600 0.1260 0.1350 0.0460 0.990 99.4 7.9
5.600-4.890 0.1270 0.1360 0.0480 0.991 100.0 7.7
4.890-4.450 0.1260 0.1380 0.0540 0.986 98.6 6.2
4.450-4.130 0.1430 0.1560 0.0600 0.984 99.9 6.6
4.130-3.880 0.1750 0.1890 0.0710 0.977 100.0 7.0
3.880-3.690 0.2030 0.2200 0.0830 0.975 99.8 7.0
3.690-3.530 0.2360 0.2550 0.0950 0.965 99.7 7.1
3.530-3.390 0.2700 0.2920 0.1090 0.964 100.0 6.9
3.390-3.280 0.3200 0.3470 0.1310 0.942 99.4 6.8
3.280-3.170 0.3650 0.4000 0.1600 0.899 98.8 5.8
3.170-3.080 0.4330 0.4720 0.1840 0.897 99.1 6.2
3.080-3.000 0.5200 0.5660 0.2160 0.870 99.1 6.4
3.000-2.930 0.6620 0.7200 0.2750 0.779 99.0 6.6
2.930-2.860 0.7750 0.8400 0.3170 0.764 99.5 6.7
2.860-2.800 0.9310 1.0100 0.3820 0.693 98.6 6.7
2.800-2.740 1.0920 1.1860 0.4520 0.624 99.2 6.7
2.740-2.690 1.1690 1.2740 0.4940 0.631 99.6 6.4
2.690-2.640 1.4100 1.5400 0.6070 0.497 98.9 6.1
2.640-2.600 1.5470 1.6970 0.6840 0.459 98.9 5.8