Data quality metrics extracted from 5z85.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
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  "version": "0.2.2",
  "uuid": "d802e4aa523c97f8a901d81f668448b8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
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    "b": 205.893,
    "c": 177.576,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
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        "type": "R(pim)",
        "value": 0.032
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      {
        "type": "I/SigI",
        "value": 11.400
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        "type": "Completeness",
        "value": 99.900
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      {
        "type": "Redundancy",
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  "refln_shells": [
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          "value": 1.147
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          "type": "R(pim)",
          "value": 0.294
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        {
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        {
          "type": "CC(1/2)",
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      "quality_factors": [
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        {
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          "value": 0.287
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        {
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          "value": 100.000
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        {
          "type": "R(meas)",
          "value": 0.829
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        {
          "type": "R(pim)",
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          "type": "Completeness",
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        {
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        {
          "type": "Completeness",
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      "quality_factors": [
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        {
          "type": "Completeness",
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        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.990,3.700],
      "number_observations_unique": 14171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "R(pim)",
          "value": 0.022
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 16.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.390,3.990],
      "number_observations_unique": 14155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 15.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.020,4.390],
      "number_observations_unique": 14220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.073
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 15.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.330,5.020],
      "number_observations_unique": 14363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "R(pim)",
          "value": 0.019
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 16.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [200.000,6.330],
      "number_observations_unique": 14520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 14.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 200.000 200.000 1.880
High resolution limit [Å] 1.850 6.330 1.870
R(merge) 0.1220 0.0660 1.0830
R(meas) 0.1270 0.0690 1.1210
R(pim) 0.0320 0.0200 0.2870
CC(1/2) - 0.996 0.929
Completeness [%] 99.9 98.2 100.0
Multiplicity 15.8 14.0 14.9


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
200.000-6.330 0.0660 0.0690 0.0200 0.996 98.2 14.0
6.330-5.020 0.0720 0.0750 0.0190 0.996 99.9 16.7
5.020-4.390 0.0730 0.0760 0.0200 0.997 99.7 15.2
4.390-3.990 0.0780 0.0810 0.0210 0.997 99.9 15.6
3.990-3.700 0.0870 0.0900 0.0220 0.996 99.9 16.9
3.700-3.480 0.0960 0.0990 0.0240 0.997 100.0 17.6
3.480-3.310 0.1050 0.1080 0.0260 0.997 100.0 17.8
3.310-3.160 0.1180 0.1210 0.0290 0.996 100.0 17.8
3.160-3.040 0.1300 0.1340 0.0320 0.996 100.0 17.8
3.040-2.940 0.1450 0.1490 0.0360 0.996 100.0 17.7
2.940-2.840 0.1570 0.1620 0.0390 0.996 100.0 17.8
2.840-2.760 0.1730 0.1780 0.0420 0.995 100.0 17.8
2.760-2.690 0.1800 0.1850 0.0440 0.995 100.0 17.9
2.690-2.630 0.1400 0.1450 0.0370 0.995 100.0 15.3
2.630-2.570 0.1450 0.1500 0.0380 0.995 100.0 15.4
2.570-2.510 0.1520 0.1570 0.0400 0.995 100.0 15.4
2.510-2.460 0.1640 0.1700 0.0430 0.995 100.0 15.4
2.460-2.410 0.1750 0.1810 0.0460 0.994 100.0 15.4
2.410-2.370 0.1900 0.1970 0.0500 0.993 100.0 15.4
2.370-2.330 0.2070 0.2140 0.0550 0.993 100.0 15.4
2.330-2.290 0.2250 0.2320 0.0590 0.992 100.0 15.4
2.290-2.260 0.2460 0.2550 0.0650 0.990 100.0 15.4
2.260-2.220 0.2670 0.2770 0.0710 0.990 100.0 15.3
2.220-2.190 0.2980 0.3080 0.0780 0.988 100.0 15.3
2.190-2.160 0.3220 0.3330 0.0850 0.987 100.0 15.3
2.160-2.140 0.3560 0.3690 0.0940 0.985 100.0 15.2
2.140-2.110 0.3980 0.4120 0.1050 0.982 100.0 15.2
2.110-2.080 0.4270 0.4420 0.1130 0.980 100.0 15.2
2.080-2.060 0.4480 0.4640 0.1180 0.980 100.0 15.1
2.060-2.040 0.5050 0.5220 0.1330 0.975 100.0 15.1
2.040-2.010 0.5360 0.5540 0.1410 0.977 100.0 15.1
2.010-1.990 0.5950 0.6160 0.1570 0.968 100.0 15.1
1.990-1.970 0.6470 0.6690 0.1710 0.966 100.0 15.1
1.970-1.950 0.7030 0.7270 0.1860 0.962 100.0 15.0
1.950-1.930 0.7350 0.7610 0.1940 0.963 100.0 15.0
1.930-1.920 0.8010 0.8290 0.2120 0.954 100.0 15.0
1.920-1.900 0.8640 0.8940 0.2290 0.949 100.0 14.9
1.900-1.880 0.9870 1.0220 0.2610 0.928 100.0 14.9
1.880-1.870 1.0830 1.1210 0.2870 0.929 100.0 14.9
1.870-1.850 1.1080 1.1470 0.2940 0.921 100.0 14.9