Data quality metrics extracted from 8e8c.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": "8e7295c1db199c0074e5c6dce6438ef4",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 97.80,
    "b": 97.80,
    "c": 81.64,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97618],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.010,2.050],
    "number_observations": 733315,
    "number_observations_unique": 48522,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "R(meas)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 21.850
      },
      {
        "type": "Completeness",
        "value": 88.000
      },
      {
        "type": "Redundancy",
        "value": 15.113
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.100,2.050],
      "number_observations": 5213,
      "number_observations_unique": 1181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.178
        },
        {
          "type": "R(meas)",
          "value": 1.320
        },
        {
          "type": "I/SigI",
          "value": 1.020
        },
        {
          "type": "Completeness",
          "value": 29.100
        },
        {
          "type": "Redundancy",
          "value": 4.414
        },
        {
          "type": "CC(1/2)",
          "value": 0.411
        }
      ]
    },
    {
      "resolution_limits": [2.160,2.100],
      "number_observations": 14629,
      "number_observations_unique": 2459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.891
        },
        {
          "type": "R(meas)",
          "value": 0.976
        },
        {
          "type": "I/SigI",
          "value": 1.690
        },
        {
          "type": "Completeness",
          "value": 61.700
        },
        {
          "type": "Redundancy",
          "value": 5.949
        },
        {
          "type": "CC(1/2)",
          "value": 0.634
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.160],
      "number_observations": 18375,
      "number_observations_unique": 2746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.700
        },
        {
          "type": "R(meas)",
          "value": 0.758
        },
        {
          "type": "I/SigI",
          "value": 2.320
        },
        {
          "type": "Completeness",
          "value": 70.800
        },
        {
          "type": "Redundancy",
          "value": 6.692
        },
        {
          "type": "CC(1/2)",
          "value": 0.783
        }
      ]
    },
    {
      "resolution_limits": [2.290,2.220],
      "number_observations": 22376,
      "number_observations_unique": 2980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.546
        },
        {
          "type": "R(meas)",
          "value": 0.586
        },
        {
          "type": "I/SigI",
          "value": 3.210
        },
        {
          "type": "Completeness",
          "value": 79.600
        },
        {
          "type": "Redundancy",
          "value": 7.509
        },
        {
          "type": "CC(1/2)",
          "value": 0.884
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.290],
      "number_observations": 27287,
      "number_observations_unique": 3362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.422
        },
        {
          "type": "R(meas)",
          "value": 0.450
        },
        {
          "type": "I/SigI",
          "value": 4.320
        },
        {
          "type": "Completeness",
          "value": 92.600
        },
        {
          "type": "Redundancy",
          "value": 8.116
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.360],
      "number_observations": 36403,
      "number_observations_unique": 3508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "R(meas)",
          "value": 0.346
        },
        {
          "type": "I/SigI",
          "value": 6.240
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 10.377
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.440],
      "number_observations": 37440,
      "number_observations_unique": 3383,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.279
        },
        {
          "type": "R(meas)",
          "value": 0.292
        },
        {
          "type": "I/SigI",
          "value": 7.620
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 11.067
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.540],
      "number_observations": 36421,
      "number_observations_unique": 3278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.221
        },
        {
          "type": "R(meas)",
          "value": 0.231
        },
        {
          "type": "I/SigI",
          "value": 9.620
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.111
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.640],
      "number_observations": 34408,
      "number_observations_unique": 3121,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.167
        },
        {
          "type": "R(meas)",
          "value": 0.175
        },
        {
          "type": "I/SigI",
          "value": 12.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.025
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.760],
      "number_observations": 32988,
      "number_observations_unique": 3022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.142
        },
        {
          "type": "I/SigI",
          "value": 14.950
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.916
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.890],
      "number_observations": 40350,
      "number_observations_unique": 2834,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 18.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.238
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.050],
      "number_observations": 57977,
      "number_observations_unique": 2692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.123
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 25.880
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.537
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.460,3.230],
      "number_observations": 51401,
      "number_observations_unique": 2531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.096
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 31.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 20.309
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.460],
      "number_observations": 51849,
      "number_observations_unique": 2373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.081
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "I/SigI",
          "value": 39.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.850
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.090,3.730],
      "number_observations": 51888,
      "number_observations_unique": 2168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 47.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.934
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.570,4.090],
      "number_observations": 62842,
      "number_observations_unique": 1953,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 62.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 32.177
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.280,4.570],
      "number_observations": 56662,
      "number_observations_unique": 1731,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.058
        },
        {
          "type": "I/SigI",
          "value": 66.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 32.734
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [6.470,5.280],
      "number_observations": 45749,
      "number_observations_unique": 1467,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 65.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.185
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [9.150,6.470],
      "number_observations": 34927,
      "number_observations_unique": 1118,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 74.190
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.241
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [32.010,9.150],
      "number_observations": 14130,
      "number_observations_unique": 615,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 74.650
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 22.976
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 32.010 32.010 2.160
High resolution limit [Å] 2.050 9.150 2.100
R(merge) 0.0690 0.0380 0.8910
R(meas) 0.0700 0.0390 0.9760
CC(1/2) 1.000 1.000 0.634
Completeness [%] 88.0 99.2 61.7
Multiplicity 15.1 23.0 5.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
32.010-9.150 0.0380 0.0390 1.000 99.2 23.0
9.150-6.470 0.0480 0.0490 1.000 100.0 31.2
6.470-5.280 0.0560 0.0570 1.000 100.0 31.2
5.280-4.570 0.0570 0.0580 1.000 100.0 32.7
4.570-4.090 0.0590 0.0600 0.999 100.0 32.2
4.090-3.730 0.0700 0.0710 0.999 100.0 23.9
3.730-3.460 0.0810 0.0830 0.999 100.0 21.9
3.460-3.230 0.0960 0.0980 0.998 100.0 20.3
3.230-3.050 0.1230 0.1260 0.998 100.0 21.5
3.050-2.890 0.1310 0.1350 0.996 100.0 14.2
2.890-2.760 0.1350 0.1420 0.994 100.0 10.9
2.760-2.640 0.1670 0.1750 0.992 100.0 11.0
2.640-2.540 0.2210 0.2310 0.986 100.0 11.1
2.540-2.440 0.2790 0.2920 0.980 99.5 12.1
2.440-2.360 0.3290 0.3460 0.968 98.8 10.4
2.360-2.290 0.4220 0.4500 0.925 92.6 8.1
2.290-2.220 0.5460 0.5860 0.884 79.6 7.5
2.220-2.160 0.7000 0.7580 0.783 70.8 6.7
2.160-2.100 0.8910 0.9760 0.634 61.7 5.9
2.100-2.050 1.1780 1.3200 0.411 29.1 4.4