Data quality metrics extracted from 5pag.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": "877133cc505b8dd55d80e945459637d5",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 95.06,
    "b": 95.06,
    "c": 115.91,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.53,1.360],
    "number_observations": 874205,
    "number_observations_unique": 112871,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 10.620
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "Redundancy",
        "value": 7.75
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.390,1.360],
      "number_observations": 51823,
      "number_observations_unique": 7993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.176
        },
        {
          "type": "R(meas)",
          "value": 2.368
        },
        {
          "type": "I/SigI",
          "value": 0.840
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.300
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.390],
      "number_observations": 56499,
      "number_observations_unique": 8137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.566
        },
        {
          "type": "R(meas)",
          "value": 1.695
        },
        {
          "type": "I/SigI",
          "value": 1.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.515
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.430],
      "number_observations": 55485,
      "number_observations_unique": 7895,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.179
        },
        {
          "type": "R(meas)",
          "value": 1.275
        },
        {
          "type": "I/SigI",
          "value": 1.660
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.640
        }
      ]
    },
    {
      "resolution_limits": [1.520,1.470],
      "number_observations": 54578,
      "number_observations_unique": 7679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.964
        },
        {
          "type": "R(meas)",
          "value": 1.041
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.694
        }
      ]
    },
    {
      "resolution_limits": [1.570,1.520],
      "number_observations": 53353,
      "number_observations_unique": 7450,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.707
        },
        {
          "type": "R(meas)",
          "value": 0.763
        },
        {
          "type": "I/SigI",
          "value": 2.820
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.810
        }
      ]
    },
    {
      "resolution_limits": [1.620,1.570],
      "number_observations": 52180,
      "number_observations_unique": 7217,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.520
        },
        {
          "type": "R(meas)",
          "value": 0.560
        },
        {
          "type": "I/SigI",
          "value": 3.780
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.620],
      "number_observations": 50442,
      "number_observations_unique": 6960,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.379
        },
        {
          "type": "R(meas)",
          "value": 0.408
        },
        {
          "type": "I/SigI",
          "value": 4.980
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.936
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.690],
      "number_observations": 48961,
      "number_observations_unique": 6715,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.269
        },
        {
          "type": "R(meas)",
          "value": 0.289
        },
        {
          "type": "I/SigI",
          "value": 6.740
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.750],
      "number_observations": 47172,
      "number_observations_unique": 6443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "R(meas)",
          "value": 0.215
        },
        {
          "type": "I/SigI",
          "value": 8.710
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [1.920,1.830],
      "number_observations": 44925,
      "number_observations_unique": 6141,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 11.150
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.030,1.920],
      "number_observations": 43102,
      "number_observations_unique": 5855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.118
        },
        {
          "type": "I/SigI",
          "value": 14.080
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.030],
      "number_observations": 40522,
      "number_observations_unique": 5515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 16.840
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.300,2.150],
      "number_observations": 37996,
      "number_observations_unique": 5202,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 18.800
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.300],
      "number_observations": 35401,
      "number_observations_unique": 4838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 20.550
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.720,2.480],
      "number_observations": 32739,
      "number_observations_unique": 4464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 22.300
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.040,2.720],
      "number_observations": 29390,
      "number_observations_unique": 4028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.065
        },
        {
          "type": "I/SigI",
          "value": 23.630
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.510,3.040],
      "number_observations": 48839,
      "number_observations_unique": 3573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 29.150
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.300,3.510],
      "number_observations": 43094,
      "number_observations_unique": 3039,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.077
        },
        {
          "type": "I/SigI",
          "value": 33.650
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [6.080,4.300],
      "number_observations": 32146,
      "number_observations_unique": 2366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.068
        },
        {
          "type": "I/SigI",
          "value": 34.730
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [47.53,6.080],
      "number_observations": 15558,
      "number_observations_unique": 1361,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 32.740
        },
        {
          "type": "Completeness",
          "value": 93.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.530 47.530 1.430
High resolution limit [Å] 1.360 6.080 1.390
R(merge) 0.0830 0.0540 1.5660
R(meas) 0.0880 0.0570 1.6950
CC(1/2) 0.998 0.998 0.515
Completeness [%] 98.9 93.3 100.0
Multiplicity 7.8 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
47.530-6.080 0.0540 0.0570 0.998 93.3
6.080-4.300 0.0660 0.0680 0.997 95.6
4.300-3.510 0.0740 0.0770 0.997 96.7
3.510-3.040 0.0880 0.0910 0.997 97.4
3.040-2.720 0.0600 0.0650 0.997 97.6
2.720-2.480 0.0650 0.0700 0.997 98.2
2.480-2.300 0.0720 0.0780 0.996 98.4
2.300-2.150 0.0800 0.0860 0.996 98.9
2.150-2.030 0.0890 0.0960 0.995 99.0
2.030-1.920 0.1100 0.1180 0.993 99.3
1.920-1.830 0.1440 0.1550 0.989 99.4
1.830-1.750 0.2000 0.2150 0.981 99.6
1.750-1.690 0.2690 0.2890 0.966 99.7
1.690-1.620 0.3790 0.4080 0.936 99.8
1.620-1.570 0.5200 0.5600 0.888 99.9
1.570-1.520 0.7070 0.7630 0.810 99.9
1.520-1.470 0.9640 1.0410 0.694 99.9
1.470-1.430 1.1790 1.2750 0.640 100.0
1.430-1.390 1.5660 1.6950 0.515 100.0
1.390-1.360 2.1760 2.3680 0.300 96.1